3-(4-methylphenyl)-5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(4-methylphenyl)-5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-benzylsulfanyl-5-(p-tolyl)-1,2,4-triazole CAS Name: 3-(4-methylphenyl)-5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(benzylthio)-5-(p-tolyl)-1,2,4-triazole Formula: C19H19N3S MolecularWeight: 321.43926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3S/c1-3-13-22-18(17-11-9-15(2)10-12-17)20-21-19(22)23-14-16-7-5-4-6-8-16/h3-12H,1,13-14H2,2H3