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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C

InChI

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