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

Systemtic Name: 3-(4-chlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-chlorophenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-5-[(2-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-chlorophenyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazole Formula: C19H18ClN3S MolecularWeight: 355.88432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN3S/c1-3-12-23-18(15-8-10-17(20)11-9-15)21-22-19(23)24-13-16-7-5-4-6-14(16)2/h3-11H,1,12-13H2,2H3