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

Systemtic Name: 1-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzo[f]chromen-3-one Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O2S/c1-2-14-28-24(18-9-4-3-5-10-18)26-27-25(28)31-16-19-15-22(29)30-21-13-12-17-8-6-7-11-20(17)23(19)21/h2-13,15H,1,14,16H2