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

Systemtic Name: 1-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[5-(4-ethylphenyl)-1H-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:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

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