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

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-5-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(2-chlorobenzyl)thio]-5-(p-tolyl)-1H-1,2,4-triazole Formula: C16H14ClN3S MolecularWeight: 315.82046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C16H14ClN3S/c1-11-6-8-12(9-7-11)15-18-16(20-19-15)21-10-13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,18,19,20)