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

Systemtic Name: 7-ethyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-ethyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-ethyl-4-[[(1-methyl-2-imidazolyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-ethyl-4-[[(1-methylimidazol-2-yl)thio]methyl]coumarin Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=CN3C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=CN3C

InChI

InChI=1S/C16H16N2O2S/c1-3-11-4-5-13-12(9-15(19)20-14(13)8-11)10-21-16-17-6-7-18(16)2/h4-9H,3,10H2,1-2H3