3-(2-chlorophenyl)-4-cyclopentyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(4-methoxyphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-(p-anisylthio)-1,2,4-triazole Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NN=C(N2C3CCCC3)C4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NN=C(N2C3CCCC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H22ClN3OS/c1-26-17-12-10-15(11-13-17)14-27-21-24-23-20(18-8-4-5-9-19(18)22)25(21)16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7,14H2,1H3