2-[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]-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[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]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[4-allyl-5-[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[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]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[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]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[4-allyl-5-[[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide Formula: C25H26N6O3S2 MolecularWeight: 522.64234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C25H26N6O3S2/c1-3-12-31-21(13-22(32)27-16-8-10-17(34-2)11-9-16)29-30-25(31)35-15-23(33)28-24-19(14-26)18-6-4-5-7-20(18)36-24/h3,8-11H,1,4-7,12-13,15H2,2H3,(H,27,32)(H,28,33)