3-[(2-chlorophenyl)methylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-5-cyclohexyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-chlorobenzyl)thio]-5-cyclohexyl-4-phenyl-1,2,4-triazole Formula: C21H22ClN3S MolecularWeight: 383.93748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4Cl

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4Cl

InChI

InChI=1S/C21H22ClN3S/c22-19-14-8-7-11-17(19)15-26-21-24-23-20(16-9-3-1-4-10-16)25(21)18-12-5-2-6-13-18/h2,5-8,11-14,16H,1,3-4,9-10,15H2