(E)-2-(1,3-benzothiazol-2-yl)-3-[2-(3,4-dimethylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[2-(3,4-dimethylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(3,4-dimethylphenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]acrylonitrile Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)C=C(C#N)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)/C=C(\C#N)/C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H18N4OS/c1-13-8-9-17(10-14(13)2)26-22(27)18(15(3)25-26)11-16(12-23)21-24-19-6-4-5-7-20(19)28-21/h4-11,25H,1-3H3/b16-11+