3-(2-chlorophenyl)-4-cyclopentyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-(2-phenoxyethylthio)-1,2,4-triazole IUPAC Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCCOC3=CC=CC=C3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCCOC3=CC=CC=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H22ClN3OS/c22-19-13-7-6-12-18(19)20-23-24-21(25(20)16-8-4-5-9-16)27-15-14-26-17-10-2-1-3-11-17/h1-3,6-7,10-13,16H,4-5,8-9,14-15H2