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

Systemtic Name: 1-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C21H14N4O2S MolecularWeight: 386.42646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NNC(=N4)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NNC(=N4)C5=CC=NC=C5

InChI

InChI=1S/C21H14N4O2S/c26-18-11-15(19-16-4-2-1-3-13(16)5-6-17(19)27-18)12-28-21-23-20(24-25-21)14-7-9-22-10-8-14/h1-11H,12H2,(H,23,24,25)