4-chloranyl-N-[2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]benzamide

Systemtic Name: 4-chloranyl-N-[2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]benzamide Openeye Name: 4-chloro-N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]benzamide CAS Name: 4-chloro-N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]benzamide IUPAC Name: 4-chloro-N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]benzamide Traditional Name: 4-chloro-N-[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]benzamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN5O2S/c1-2-4-15-11-19(28)25-21(23-15)27-18(12-16(26-27)17-5-3-10-30-17)24-20(29)13-6-8-14(22)9-7-13/h3,5-12H,2,4H2,1H3,(H,24,29)(H,23,25,28)