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

Systemtic Name: 1-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C19H24ClN3OS MolecularWeight: 377.93136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C2CCCC2)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C2CCCC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H24ClN3OS/c1-19(2,3)16(24)12-25-18-22-21-17(14-10-6-7-11-15(14)20)23(18)13-8-4-5-9-13/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3