6,7-dimethyl-4-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 4-[(1-allylbenzimidazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 6,7-dimethyl-4-[[(1-prop-2-enyl-2-benzimidazolyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 4-[[(1-allylbenzimidazol-2-yl)thio]methyl]-6,7-dimethyl-coumarin Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4N3CC=C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4N3CC=C)C

InChI

InChI=1S/C22H20N2O2S/c1-4-9-24-19-8-6-5-7-18(19)23-22(24)27-13-16-12-21(25)26-20-11-15(3)14(2)10-17(16)20/h4-8,10-12H,1,9,13H2,2-3H3