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

Systemtic Name: 1-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C29H21N3O2S MolecularWeight: 475.56094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

InChI

InChI=1S/C29H21N3O2S/c1-19-8-7-10-21(16-19)28-30-31-29(32(28)23-11-3-2-4-12-23)35-18-22-17-26(33)34-25-15-14-20-9-5-6-13-24(20)27(22)25/h2-17H,18H2,1H3