6,7-dimethyl-4-[[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]chromen-2-one Traditional Name: 4-[[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]methyl]-6,7-dimethyl-coumarin Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC(=O)N3CCC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC(=O)N3CCC(=N3)C4=CC=CC=C4)C

InChI

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