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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenyl-ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenyl-acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-cyclohexyl-N-phenylacetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-cyclohexyl-N-phenyl-acetamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CSC3=NNC(=N3)N

Isomeric SMILES

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C16H21N5OS/c17-15-18-16(20-19-15)23-11-14(22)21(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H3,17,18,19,20)