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

Systemtic Name: 1-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C28H20N4O2S MolecularWeight: 476.549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C6=CN=CC=C6

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C6=CN=CC=C6

InChI

InChI=1S/C28H20N4O2S/c1-18-7-2-5-11-23(18)32-27(20-9-6-14-29-16-20)30-31-28(32)35-17-21-15-25(33)34-24-13-12-19-8-3-4-10-22(19)26(21)24/h2-16H,17H2,1H3