2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocycloheptyl)ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocycloheptyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocycloheptyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(1-cyanocycloheptyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocycloheptyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(1-cyanocycloheptyl)acetamide Formula: C12H18N6OS MolecularWeight: 294.37592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C12H18N6OS/c13-8-12(5-3-1-2-4-6-12)16-9(19)7-20-11-15-10(14)17-18-11/h1-7H2,(H,16,19)(H3,14,15,17,18)