5-chloranyl-2-methylsulfanyl-N'-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-pyrimidine-4-carbohydrazide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N'-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-pyrimidine-4-carbohydrazide Openeye Name: 5-chloro-2-methylsulfanyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)pyrimidine-4-carbohydrazide CAS Name: 5-chloro-2-(methylthio)-N'-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-4-pyrimidinecarbohydrazide IUPAC Name: 5-chloro-2-methylsulfanyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)pyrimidine-4-carbohydrazide Traditional Name: 5-chloro-2-(methylthio)-N'-(4-pyrrolidinosulfonylbenzoyl)pyrimidine-4-carbohydrazide Formula: C17H18ClN5O4S2 MolecularWeight: 455.93892

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C17H18ClN5O4S2/c1-28-17-19-10-13(18)14(20-17)16(25)22-21-15(24)11-4-6-12(7-5-11)29(26,27)23-8-2-3-9-23/h4-7,10H,2-3,8-9H2,1H3,(H,21,24)(H,22,25)