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

Systemtic Name: 2-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]ethanethiol Openeye Name: 2-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]ethanethiol CAS Name: 2-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]ethanethiol IUPAC Name: 2-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]ethanethiol Traditional Name: 2-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]ethanethiol Formula: C13H13N5S2 MolecularWeight: 303.40582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5S2/c19-6-7-20-13-12(18-9-14-8-15-18)11(16-17-13)10-4-2-1-3-5-10/h1-5,8-9,19H,6-7H2,(H,16,17)