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

Systemtic Name: 1-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C29H21N3O3S MolecularWeight: 491.56034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

InChI

InChI=1S/C29H21N3O3S/c1-34-24-14-8-7-13-23(24)28-30-31-29(32(28)21-10-3-2-4-11-21)36-18-20-17-26(33)35-25-16-15-19-9-5-6-12-22(19)27(20)25/h2-17H,18H2,1H3