1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one

Systemtic Name: 1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C27H18N4O2S MolecularWeight: 462.52242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C6=CC=NC=C6

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C6=CC=NC=C6

InChI

InChI=1S/C27H18N4O2S/c32-24-16-20(25-22-9-5-4-6-18(22)10-11-23(25)33-24)17-34-27-30-29-26(19-12-14-28-15-13-19)31(27)21-7-2-1-3-8-21/h1-16H,17H2