8-methyl-4-[(1-methyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 8-methyl-4-[(1-methyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[(1-methyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[(1-methyl-5-phenyl-2-imidazolyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[(1-methyl-5-phenyl-imidazol-2-yl)thio]methyl]coumarin Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC=C(N3C)C4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC=C(N3C)C4=CC=CC=C4)O

InChI

InChI=1S/C21H18N2O3S/c1-13-18(24)9-8-16-15(10-19(25)26-20(13)16)12-27-21-22-11-17(23(21)2)14-6-4-3-5-7-14/h3-11,24H,12H2,1-2H3