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

Systemtic Name: 1-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C24H18N4O2S MolecularWeight: 426.49032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC=NC=C5

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC=NC=C5

InChI

InChI=1S/C24H18N4O2S/c1-2-13-28-23(17-9-11-25-12-10-17)26-27-24(28)31-15-18-14-21(29)30-20-8-7-16-5-3-4-6-19(16)22(18)20/h2-12,14H,1,13,15H2