4-methyl-3-(3-methylphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazole

Systemtic Name: 4-methyl-3-(3-methylphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-4-methyl-5-(m-tolyl)-1,2,4-triazole CAS Name: 4-methyl-3-(3-methylphenyl)-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 4-methyl-3-(3-methylphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-4-methyl-5-(m-tolyl)-1,2,4-triazole Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC=C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC=C

InChI

InChI=1S/C13H15N3S/c1-4-8-17-13-15-14-12(16(13)3)11-7-5-6-10(2)9-11/h4-7,9H,1,8H2,2-3H3