2-propan-2-ylsulfanyl-N'-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-pyridine-3-carbohydrazide

Systemtic Name: 2-propan-2-ylsulfanyl-N'-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-pyridine-3-carbohydrazide Openeye Name: 2-isopropylsulfanyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide CAS Name: N'-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-2-(propan-2-ylthio)-3-pyridinecarbohydrazide IUPAC Name: 2-propan-2-ylsulfanyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide Traditional Name: 2-(isopropylthio)-N'-(4-pyrrolidinosulfonylbenzoyl)nicotinohydrazide Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=CC=N1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)SC1=C(C=CC=N1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H24N4O4S2/c1-14(2)29-20-17(6-5-11-21-20)19(26)23-22-18(25)15-7-9-16(10-8-15)30(27,28)24-12-3-4-13-24/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,25)(H,23,26)