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

Systemtic Name: 3-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]propane-1-thiol Openeye Name: 3-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]propane-1-thiol CAS Name: 3-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]-1-propanethiol IUPAC Name: 3-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]propane-1-thiol Traditional Name: 3-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]propane-1-thiol Formula: C14H15N5S2 MolecularWeight: 317.4324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5S2/c20-7-4-8-21-14-13(19-10-15-9-16-19)12(17-18-14)11-5-2-1-3-6-11/h1-3,5-6,9-10,20H,4,7-8H2,(H,17,18)