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

Systemtic Name: 1-[[4-azanyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C23H18N4O2S/c1-14-6-2-4-8-17(14)22-25-26-23(27(22)24)30-13-16-12-20(28)29-19-11-10-15-7-3-5-9-18(15)21(16)19/h2-12H,13,24H2,1H3