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

Systemtic Name: 1-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]benzo[f]chromen-3-one Formula: C28H19N3O2S MolecularWeight: 461.53436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

InChI

InChI=1S/C28H19N3O2S/c32-25-17-21(26-23-14-8-7-9-19(23)15-16-24(26)33-25)18-34-28-30-29-27(20-10-3-1-4-11-20)31(28)22-12-5-2-6-13-22/h1-17H,18H2