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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC(=N2)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC(=N2)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3S/c1-13-3-2-4-15(9-13)10-21-12-19-17(20-21)22-11-14-5-7-16(18)8-6-14/h2-9,12H,10-11H2,1H3