5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole Openeye Name: 3-methylsulfanyl-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 5-(4-methylphenyl)-3-(methylthio)-1H-1,2,4-triazole IUPAC Name: 5-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazole Traditional Name: 3-(methylthio)-5-(p-tolyl)-1H-1,2,4-triazole Formula: C10H11N3S MolecularWeight: 205.27944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SC

InChI

InChI=1S/C10H11N3S/c1-7-3-5-8(6-4-7)9-11-10(14-2)13-12-9/h3-6H,1-2H3,(H,11,12,13)