1-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3,3-dimethyl-butan-2-one Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H27N3OS/c1-20(2,3)17(24)14-25-19-22-21-18(15-10-6-4-7-11-15)23(19)16-12-8-5-9-13-16/h4,6-7,10-11,16H,5,8-9,12-14H2,1-3H3