(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acrylamide Formula: C19H21ClN4O3S2 MolecularWeight: 452.97804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H21ClN4O3S2/c1-4-5-10-24-18(20)14(12(2)23-24)7-9-17(25)22-19-21-15-8-6-13(29(3,26)27)11-16(15)28-19/h6-9,11H,4-5,10H2,1-3H3,(H,21,22,25)/b9-7+