6-chloranyl-4-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-[[1-(o-tolyl)imidazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-[[[1-(2-methylphenyl)-2-imidazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-4-[[[1-(o-tolyl)imidazol-2-yl]thio]methyl]coumarin Formula: C20H15ClN2O3S MolecularWeight: 398.8627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SCC3=CC(=O)OC4=CC(=C(C=C34)Cl)O

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCC3=CC(=O)OC4=CC(=C(C=C34)Cl)O

InChI

InChI=1S/C20H15ClN2O3S/c1-12-4-2-3-5-16(12)23-7-6-22-20(23)27-11-13-8-19(25)26-18-10-17(24)15(21)9-14(13)18/h2-10,24H,11H2,1H3