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

Systemtic Name: 1-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C24H19N3O2S MolecularWeight: 413.49156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C24H19N3O2S/c1-15-7-3-5-9-18(15)23-25-26-24(27(23)2)30-14-17-13-21(28)29-20-12-11-16-8-4-6-10-19(16)22(17)20/h3-13H,14H2,1-2H3