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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]ethanethiol Openeye Name: 2-[[5-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]ethanethiol CAS Name: 2-[[5-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]ethanethiol IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]ethanethiol Traditional Name: 2-[[5-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]ethanethiol Formula: C14H15N5OS2 MolecularWeight: 333.4318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NN2)SCCS)N3C=NC=N3

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NN2)SCCS)N3C=NC=N3

InChI

InChI=1S/C14H15N5OS2/c1-20-11-4-2-10(3-5-11)12-13(19-9-15-8-16-19)14(18-17-12)22-7-6-21/h2-5,8-9,21H,6-7H2,1H3,(H,17,18)