3-chloranyl-4-[(6-methylpyridin-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-chloranyl-4-[(6-methylpyridin-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-chloro-7-hydroxy-4-[(6-methyl-2-pyridyl)sulfanylmethyl]chromen-2-one CAS Name: 3-chloro-7-hydroxy-4-[[(6-methyl-2-pyridinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 3-chloro-7-hydroxy-4-[(6-methylpyridin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 3-chloro-7-hydroxy-4-[[(6-methyl-2-pyridyl)thio]methyl]coumarin Formula: C16H12ClNO3S MolecularWeight: 333.78938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)SCC2=C(C(=O)OC3=C2C=CC(=C3)O)Cl

Isomeric SMILES

CC1=NC(=CC=C1)SCC2=C(C(=O)OC3=C2C=CC(=C3)O)Cl

InChI

InChI=1S/C16H12ClNO3S/c1-9-3-2-4-14(18-9)22-8-12-11-6-5-10(19)7-13(11)21-16(20)15(12)17/h2-7,19H,8H2,1H3