(E)-N-(4-acetamido-3-chloranyl-phenyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(4-acetamido-3-chloranyl-phenyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-N-(4-acetamido-3-chloro-phenyl)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-(4-acetamido-3-chlorophenyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-(4-acetamido-3-chlorophenyl)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(4-acetamido-3-chloro-phenyl)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]acrylamide Formula: C25H21ClN4O2S MolecularWeight: 476.97784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)C=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)/C=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H21ClN4O2S/c1-17(31)27-22-11-10-20(14-21(22)26)28-24(32)12-9-19-16-30(15-18-6-3-2-4-7-18)29-25(19)23-8-5-13-33-23/h2-14,16H,15H2,1H3,(H,27,31)(H,28,32)/b12-9+