2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine

Systemtic Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine Openeye Name: 2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine CAS Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanamine IUPAC Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine Traditional Name: 2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethylamine Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCCN

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCCN

InChI

InChI=1S/C12H16N4S/c1-9-3-5-10(6-4-9)11-14-15-12(16(11)2)17-8-7-13/h3-6H,7-8,13H2,1-2H3