N-[[5-[2-[(4-bromophenyl)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-[(4-bromophenyl)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-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: N-[[5-[[2-(4-bromoanilino)-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-(4-bromoanilino)-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-(4-bromoanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C25H26BrN5O4S MolecularWeight: 572.47404

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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=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C25H26BrN5O4S/c1-4-13-31-22(15-27-23(32)12-6-17-5-11-20(34-2)21(14-17)35-3)29-30-25(31)36-16-24(33)28-19-9-7-18(26)8-10-19/h4-12,14H,1,13,15-16H2,2-3H3,(H,27,32)(H,28,33)