4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]but-2-yn-1-ol

Systemtic Name: 4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]but-2-yn-1-ol Openeye Name: 4-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]but-2-yn-1-ol CAS Name: 4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-2-butyn-1-ol IUPAC Name: 4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]but-2-yn-1-ol Traditional Name: 4-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]but-2-yn-1-ol Formula: C17H14N4OS MolecularWeight: 322.38426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC#CCO)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC#CCO)C3=CC=NC=C3

InChI

InChI=1S/C17H14N4OS/c22-12-4-5-13-23-17-20-19-16(14-8-10-18-11-9-14)21(17)15-6-2-1-3-7-15/h1-3,6-11,22H,12-13H2