(2Z)-2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1-benzothiophen-3-one

Systemtic Name: (2Z)-2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1-benzothiophen-3-one Openeye Name: (2Z)-2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]methylene]benzothiophen-3-one CAS Name: (2Z)-2-[[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]methylidene]-1-benzothiophen-3-one IUPAC Name: (2Z)-2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1-benzothiophen-3-one Traditional Name: (2Z)-2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]methylene]benzothiophen-3-one Formula: C21H18N2OS MolecularWeight: 346.44542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C=C3C(=O)C4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)/C=C\3/C(=O)C4=CC=CC=C4S3)C

InChI

InChI=1S/C21H18N2OS/c1-13-8-10-16(11-9-13)23-15(3)18(14(2)22-23)12-20-21(24)17-6-4-5-7-19(17)25-20/h4-12H,1-3H3/b20-12-