7-ethyl-4-[[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]chromen-2-one Openeye Name: 7-ethyl-4-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]chromen-2-one CAS Name: 7-ethyl-4-[[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]chromen-2-one Traditional Name: 7-ethyl-4-[[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]methyl]coumarin Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O3S/c1-2-16-8-9-19-18(13-23(27)28-21(19)12-16)14-29-15-22(26)25-11-10-20(24-25)17-6-4-3-5-7-17/h3-9,12-13H,2,10-11,14-15H2,1H3