4-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 7,8-dimethyl-4-[[(1-p-phenetylbenzimidazol-2-yl)thio]methyl]coumarin Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5C)C

InChI

InChI=1S/C27H24N2O3S/c1-4-31-21-12-10-20(11-13-21)29-24-8-6-5-7-23(24)28-27(29)33-16-19-15-25(30)32-26-18(3)17(2)9-14-22(19)26/h5-15H,4,16H2,1-3H3