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

Systemtic Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acrylamide Formula: C19H21ClN4OS MolecularWeight: 388.91424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NCC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NCC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H21ClN4OS/c1-3-4-11-24-19(20)14(13(2)23-24)9-10-17(25)21-12-18-22-15-7-5-6-8-16(15)26-18/h5-10H,3-4,11-12H2,1-2H3,(H,21,25)/b10-9+