4-(2-methylphenyl)-3-(2-methylpropylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(2-methylphenyl)-3-(2-methylpropylsulfanyl)-1,2,4-triazole Openeye Name: 3-isobutylsulfanyl-4-(o-tolyl)-1,2,4-triazole CAS Name: 4-(2-methylphenyl)-3-(2-methylpropylthio)-1,2,4-triazole IUPAC Name: 4-(2-methylphenyl)-3-(2-methylpropylsulfanyl)-1,2,4-triazole Traditional Name: 3-(isobutylthio)-4-(o-tolyl)-1,2,4-triazole Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC(C)C

InChI

InChI=1S/C13H17N3S/c1-10(2)8-17-13-15-14-9-16(13)12-7-5-4-6-11(12)3/h4-7,9-10H,8H2,1-3H3