N-(5-chloranyl-6-ethyl-pyrimidin-4-yl)-N-(8-propan-2-ylsulfanyloctyl)pyrazole-1-carboxamide

Systemtic Name: N-(5-chloranyl-6-ethyl-pyrimidin-4-yl)-N-(8-propan-2-ylsulfanyloctyl)pyrazole-1-carboxamide Openeye Name: N-(5-chloro-6-ethyl-pyrimidin-4-yl)-N-(8-isopropylsulfanyloctyl)pyrazole-1-carboxamide CAS Name: N-(5-chloro-6-ethyl-4-pyrimidinyl)-N-[8-(propan-2-ylthio)octyl]-1-pyrazolecarboxamide IUPAC Name: N-(5-chloro-6-ethylpyrimidin-4-yl)-N-(8-propan-2-ylsulfanyloctyl)pyrazole-1-carboxamide Traditional Name: N-(5-chloro-6-ethyl-pyrimidin-4-yl)-N-[8-(isopropylthio)octyl]pyrazole-1-carboxamide Formula: C21H32ClN5OS MolecularWeight: 438.02968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)N(CCCCCCCCSC(C)C)C(=O)N2C=CC=N2)Cl

Isomeric SMILES

CCC1=C(C(=NC=N1)N(CCCCCCCCSC(C)C)C(=O)N2C=CC=N2)Cl

InChI

InChI=1S/C21H32ClN5OS/c1-4-18-19(22)20(24-16-23-18)26(21(28)27-14-11-12-25-27)13-9-7-5-6-8-10-15-29-17(2)3/h11-12,14,16-17H,4-10,13,15H2,1-3H3