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

Systemtic Name: 5-methyl-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-methyl-3-(p-tolylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-methyl-3-[(4-methylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-methyl-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-methyl-3-[(4-methylbenzyl)thio]-1H-1,2,4-triazole Formula: C11H13N3S MolecularWeight: 219.30602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NNC(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NNC(=N2)C

InChI

InChI=1S/C11H13N3S/c1-8-3-5-10(6-4-8)7-15-11-12-9(2)13-14-11/h3-6H,7H2,1-2H3,(H,12,13,14)