4-[(Z)-(6-chloranyl-4-oxidanylidene-thiochromen-3-ylidene)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(Z)-(6-chloranyl-4-oxidanylidene-thiochromen-3-ylidene)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(Z)-(6-chloro-4-oxo-thiochroman-3-ylidene)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(Z)-(6-chloro-4-oxo-1-benzothiopyran-3-ylidene)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(Z)-(6-chloro-4-oxothiochromen-3-ylidene)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(Z)-(6-chloro-4-keto-thiochroman-3-ylidene)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C21H17ClN2O2S MolecularWeight: 396.88988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=C3CSC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=C/3\CSC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN2O2S/c1-13-17(21(26)24(23(13)2)16-6-4-3-5-7-16)10-14-12-27-19-9-8-15(22)11-18(19)20(14)25/h3-11H,12H2,1-2H3/b14-10+