2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexanone CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-cyclohexanone IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]cyclohexanone Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)C(C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3OS/c24-17-13-7-8-14-18(17)25-20-22-21-19(15-9-3-1-4-10-15)23(20)16-11-5-2-6-12-16/h1-6,9-12,18H,7-8,13-14H2