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

Systemtic Name: 5-(3-methylphenyl)-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-isobutylsulfanyl-5-(m-tolyl)-1H-1,2,4-triazole CAS Name: 5-(3-methylphenyl)-3-(2-methylpropylthio)-1H-1,2,4-triazole IUPAC Name: 5-(3-methylphenyl)-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazole Traditional Name: 3-(isobutylthio)-5-(m-tolyl)-1H-1,2,4-triazole Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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