4-methyl-3-(2-methylphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazole

Systemtic Name: 4-methyl-3-(2-methylphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazole Openeye Name: 3-isopropylsulfanyl-4-methyl-5-(o-tolyl)-1,2,4-triazole CAS Name: 4-methyl-3-(2-methylphenyl)-5-(propan-2-ylthio)-1,2,4-triazole IUPAC Name: 4-methyl-3-(2-methylphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazole Traditional Name: 3-(isopropylthio)-4-methyl-5-(o-tolyl)-1,2,4-triazole Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SC(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SC(C)C

InChI

InChI=1S/C13H17N3S/c1-9(2)17-13-15-14-12(16(13)4)11-8-6-5-7-10(11)3/h5-9H,1-4H3