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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-4-ium-4-yl)sulfanyl]-N-cyclohexyl-2-phenyl-ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-4-ium-4-yl)sulfanyl]-N-cyclohexyl-2-phenyl-acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-4-ium-4-yl)thio]-N-cyclohexyl-2-phenylacetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-4-ium-4-yl)sulfanyl]-N-cyclohexyl-2-phenylacetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-4-ium-4-yl)thio]-N-cyclohexyl-2-phenyl-acetamide Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=CC=C2)S[N+]3=C(NN=C3)N

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC=CC=C2)S[N+]3=C(NN=C3)N

InChI

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