N-(5-chloranyl-6-methyl-pyrimidin-4-yl)-N-(8-methylsulfanyloctyl)pyrazole-1-carboxamide

Systemtic Name: N-(5-chloranyl-6-methyl-pyrimidin-4-yl)-N-(8-methylsulfanyloctyl)pyrazole-1-carboxamide Openeye Name: N-(5-chloro-6-methyl-pyrimidin-4-yl)-N-(8-methylsulfanyloctyl)pyrazole-1-carboxamide CAS Name: N-(5-chloro-6-methyl-4-pyrimidinyl)-N-[8-(methylthio)octyl]-1-pyrazolecarboxamide IUPAC Name: N-(5-chloro-6-methylpyrimidin-4-yl)-N-(8-methylsulfanyloctyl)pyrazole-1-carboxamide Traditional Name: N-(5-chloro-6-methyl-pyrimidin-4-yl)-N-[8-(methylthio)octyl]pyrazole-1-carboxamide Formula: C18H26ClN5OS MolecularWeight: 395.94994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=N1)N(CCCCCCCCSC)C(=O)N2C=CC=N2)Cl

Isomeric SMILES

CC1=C(C(=NC=N1)N(CCCCCCCCSC)C(=O)N2C=CC=N2)Cl

InChI

InChI=1S/C18H26ClN5OS/c1-15-16(19)17(21-14-20-15)23(18(25)24-12-9-10-22-24)11-7-5-3-4-6-8-13-26-2/h9-10,12,14H,3-8,11,13H2,1-2H3