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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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