(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acrylamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H20N4O3S2/c1-14-18(15(2)26(25-14)16-7-5-4-6-8-16)10-12-21(27)24-22-23-19-11-9-17(31(3,28)29)13-20(19)30-22/h4-13H,1-3H3,(H,23,24,27)/b12-10+