3-methyl-5-[(2-methylphenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole

Systemtic Name: 3-methyl-5-[(2-methylphenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Openeye Name: 4-isopropyl-3-methyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-methyl-5-[(2-methylphenyl)methylthio]-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-methyl-5-[(2-methylphenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Traditional Name: 4-isopropyl-3-methyl-5-[(2-methylbenzyl)thio]-1,2,4-triazole Formula: C14H19N3S MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2C(C)C)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2C(C)C)C

InChI

InChI=1S/C14H19N3S/c1-10(2)17-12(4)15-16-14(17)18-9-13-8-6-5-7-11(13)3/h5-8,10H,9H2,1-4H3