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

Systemtic Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-1-phenyl-butan-1-one Formula: C23H24ClN3OS MolecularWeight: 425.97416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCCCC(=O)C3=CC=CC=C3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCCCC(=O)C3=CC=CC=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H24ClN3OS/c24-20-14-7-6-13-19(20)22-25-26-23(27(22)18-11-4-5-12-18)29-16-8-15-21(28)17-9-2-1-3-10-17/h1-3,6-7,9-10,13-14,18H,4-5,8,11-12,15-16H2