1-[3-(4-methylphenyl)sulfanylpropyl]-1,2,4-triazole

Systemtic Name: 1-[3-(4-methylphenyl)sulfanylpropyl]-1,2,4-triazole Openeye Name: 1-[3-(p-tolylsulfanyl)propyl]-1,2,4-triazole CAS Name: 1-[3-[(4-methylphenyl)thio]propyl]-1,2,4-triazole IUPAC Name: 1-[3-(4-methylphenyl)sulfanylpropyl]-1,2,4-triazole Traditional Name: 1-[3-(p-tolylthio)propyl]-1,2,4-triazole Formula: C12H15N3S MolecularWeight: 233.3326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCN2C=NC=N2

Isomeric SMILES

CC1=CC=C(C=C1)SCCCN2C=NC=N2

InChI

InChI=1S/C12H15N3S/c1-11-3-5-12(6-4-11)16-8-2-7-15-10-13-9-14-15/h3-6,9-10H,2,7-8H2,1H3