N-[[5-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

Systemtic Name: N-[[5-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: N-[[4-allyl-5-[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: N-[[5-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: N-[[5-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: N-[[4-allyl-5-[[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C28H30N6O4S2 MolecularWeight: 578.7056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N)OC

InChI

InChI=1S/C28H30N6O4S2/c1-4-13-34-24(16-30-25(35)12-10-18-9-11-21(37-2)22(14-18)38-3)32-33-28(34)39-17-26(36)31-27-20(15-29)19-7-5-6-8-23(19)40-27/h4,9-12,14H,1,5-8,13,16-17H2,2-3H3,(H,30,35)(H,31,36)