1-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(1-isobutylbenzimidazol-2-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[1-(2-methylpropyl)-2-benzimidazolyl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(1-isobutylbenzimidazol-2-yl)thio]methyl]benzo[f]chromen-3-one Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C25H22N2O2S/c1-16(2)14-27-21-10-6-5-9-20(21)26-25(27)30-15-18-13-23(28)29-22-12-11-17-7-3-4-8-19(17)24(18)22/h3-13,16H,14-15H2,1-2H3