6-chloranyl-7-ethyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-ethyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[(1-methyl-2-imidazolyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[(1-methylimidazol-2-yl)thio]methyl]coumarin Formula: C16H15ClN2O2S MolecularWeight: 334.8205

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=CN3C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=CN3C)Cl

InChI

InChI=1S/C16H15ClN2O2S/c1-3-10-6-14-12(8-13(10)17)11(7-15(20)21-14)9-22-16-18-4-5-19(16)2/h4-8H,3,9H2,1-2H3