2-[[5-(4-methylphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]ethanethiol

Systemtic Name: 2-[[5-(4-methylphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]ethanethiol Openeye Name: 2-[[5-(p-tolyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]ethanethiol CAS Name: 2-[[5-(4-methylphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]ethanethiol IUPAC Name: 2-[[5-(4-methylphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]ethanethiol Traditional Name: 2-[[5-(p-tolyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]ethanethiol Formula: C14H15N5S2 MolecularWeight: 317.4324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NN2)SCCS)N3C=NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NN2)SCCS)N3C=NC=N3

InChI

InChI=1S/C14H15N5S2/c1-10-2-4-11(5-3-10)12-13(19-9-15-8-16-19)14(18-17-12)21-7-6-20/h2-5,8-9,20H,6-7H2,1H3,(H,17,18)