2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C21H22N6OS2 MolecularWeight: 438.56898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C(=NN=C3SCCC4=CC=CC=C4)N)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C(=NN=C3SCCC4=CC=CC=C4)N)C#N

InChI

InChI=1S/C21H22N6OS2/c22-12-16-15-8-4-5-9-17(15)30-19(16)24-18(28)13-27-20(23)25-26-21(27)29-11-10-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-11,13H2,(H2,23,25)(H,24,28)