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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Cl

InChI

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