4-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 7-methyl-4-[[(1-p-phenetylbenzimidazol-2-yl)thio]methyl]coumarin Formula: C26H22N2O3S MolecularWeight: 442.52948

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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(=C5)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)C

InChI

InChI=1S/C26H22N2O3S/c1-3-30-20-11-9-19(10-12-20)28-23-7-5-4-6-22(23)27-26(28)32-16-18-15-25(29)31-24-14-17(2)8-13-21(18)24/h4-15H,3,16H2,1-2H3