2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-cyclohexylphenyl)ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-cyclohexylphenyl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-cyclohexylphenyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-cyclohexylphenyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-cyclohexylphenyl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-cyclohexylphenyl)ethanone Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4OS/c17-15-18-16(20-19-15)22-10-14(21)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H3,17,18,19,20)