1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methyl-N-(3-methylsulfanylpropyl)pyrazole-4-carboxamide

Systemtic Name: 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methyl-N-(3-methylsulfanylpropyl)pyrazole-4-carboxamide Openeye Name: 1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-methyl-N-(3-methylsulfanylpropyl)pyrazole-4-carboxamide CAS Name: 1-[4-(2,5-dimethyl-3-thiophenyl)-2-pyrimidinyl]-5-methyl-N-[3-(methylthio)propyl]-4-pyrazolecarboxamide IUPAC Name: 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methyl-N-(3-methylsulfanylpropyl)pyrazole-4-carboxamide Traditional Name: 1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-methyl-N-[3-(methylthio)propyl]pyrazole-4-carboxamide Formula: C19H23N5OS2 MolecularWeight: 401.54882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)NCCCSC)C

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)NCCCSC)C

InChI

InChI=1S/C19H23N5OS2/c1-12-10-15(14(3)27-12)17-6-8-21-19(23-17)24-13(2)16(11-22-24)18(25)20-7-5-9-26-4/h6,8,10-11H,5,7,9H2,1-4H3,(H,20,25)