(E)-2-(1,3-benzothiazol-2-yl)-3-(2,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2,4-dimethyl-5-oxo-1-phenyl-pyrazol-3-yl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2,4-dimethyl-5-oxo-1-phenyl-3-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(5-keto-2,4-dimethyl-1-phenyl-3-pyrazolin-3-yl)acrylonitrile Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N(C1=O)C2=CC=CC=C2)C)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(N(N(C1=O)C2=CC=CC=C2)C)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H16N4OS/c1-14-18(24(2)25(21(14)26)16-8-4-3-5-9-16)12-15(13-22)20-23-17-10-6-7-11-19(17)27-20/h3-12H,1-2H3/b15-12+