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

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H20ClN3OS/c22-18-13-7-6-12-17(18)20-23-24-21(25(20)16-10-4-5-11-16)27-14-19(26)15-8-2-1-3-9-15/h1-3,6-9,12-13,16H,4-5,10-11,14H2