4-(1H-benzimidazol-2-ylsulfanylmethyl)-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-7,8-dimethyl-chromen-2-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-7,8-dimethyl-chromen-2-one CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-7,8-dimethylchromen-2-one Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-7,8-dimethyl-coumarin Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C19H16N2O2S/c1-11-7-8-14-13(9-17(22)23-18(14)12(11)2)10-24-19-20-15-5-3-4-6-16(15)21-19/h3-9H,10H2,1-2H3,(H,20,21)