2-(3-azanyl-5-ethylsulfanyl-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-ethylsulfanyl-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-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)butanamide CAS Name: 2-[3-amino-5-(ethylthio)-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-ethylsulfanyl-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-(ethylthio)-1,2,4-triazol-4-yl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)butyramide Formula: C17H22N6OS2 MolecularWeight: 390.52618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)N3C(=NN=C3SCC)N

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)N3C(=NN=C3SCC)N

InChI

InChI=1S/C17H22N6OS2/c1-3-12(23-16(19)21-22-17(23)25-4-2)14(24)20-15-11(9-18)10-7-5-6-8-13(10)26-15/h12H,3-8H2,1-2H3,(H2,19,21)(H,20,24)