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

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)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)butanamide 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)butanamide 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)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)butyramide Formula: C23H26N6OS2 MolecularWeight: 466.62214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C23H26N6OS2/c1-2-18(20(30)26-21-17(14-24)16-10-6-7-11-19(16)32-21)29-22(25)27-28-23(29)31-13-12-15-8-4-3-5-9-15/h3-5,8-9,18H,2,6-7,10-13H2,1H3,(H2,25,27)(H,26,30)