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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-methyl-2-(4-methylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-methyl-3-oxo-2-(p-tolyl)-1H-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-keto-3-methyl-1-(p-tolyl)-3-pyrazolin-4-yl]acrylonitrile Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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