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

Systemtic Name: 3-[[5-(4-methylphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]propane-1-thiol Openeye Name: 3-[[5-(p-tolyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]propane-1-thiol CAS Name: 3-[[5-(4-methylphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]-1-propanethiol IUPAC Name: 3-[[5-(4-methylphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]propane-1-thiol Traditional Name: 3-[[5-(p-tolyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]propane-1-thiol Formula: C15H17N5S2 MolecularWeight: 331.45898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5S2/c1-11-3-5-12(6-4-11)13-14(20-10-16-9-17-20)15(19-18-13)22-8-2-7-21/h3-6,9-10,21H,2,7-8H2,1H3,(H,18,19)