N-[2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-3-(phenylthio)propionamide Formula: C21H19N5O2S2 MolecularWeight: 437.53786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S2/c1-14-12-20(28)24-21(22-14)26-18(13-16(25-26)17-8-5-10-30-17)23-19(27)9-11-29-15-6-3-2-4-7-15/h2-8,10,12-13H,9,11H2,1H3,(H,23,27)(H,22,24,28)