3-(4-chlorophenyl)-4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-chlorophenyl)-4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-chlorophenyl)-4-methyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-4-methyl-5-[(2-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-chlorophenyl)-4-methyl-5-[(2-methylbenzyl)thio]-1,2,4-triazole Formula: C17H16ClN3S MolecularWeight: 329.84704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3S/c1-12-5-3-4-6-14(12)11-22-17-20-19-16(21(17)2)13-7-9-15(18)10-8-13/h3-10H,11H2,1-2H3