5-(5-chloranylthiophen-2-yl)-N-cyano-4-(2-oxidanylidenepyrrolidin-1-yl)-N'-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-2-carboximidamide

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-N-cyano-4-(2-oxidanylidenepyrrolidin-1-yl)-N'-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-2-carboximidamide Openeye Name: 5-(5-chloro-2-thienyl)-N-cyano-4-(2-oxopyrrolidin-1-yl)-N'-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-2-carboxamidine CAS Name: 5-(5-chloro-2-thiophenyl)-N-cyano-4-(2-oxo-1-pyrrolidinyl)-N'-[3-(1-pyrazolyl)propyl]-3,4-dihydropyrazole-2-carboximidamide IUPAC Name: 5-(5-chlorothiophen-2-yl)-N-cyano-4-(2-oxopyrrolidin-1-yl)-N'-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-2-carboximidamide Traditional Name: 3-(5-chloro-2-thienyl)-N-cyano-4-(2-ketopyrrolidino)-N'-(3-pyrazol-1-ylpropyl)-2-pyrazoline-1-carboxamidine Formula: C19H21ClN8OS MolecularWeight: 444.94104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2CN(N=C2C3=CC=C(S3)Cl)C(=NCCCN4C=CC=N4)NC#N

Isomeric SMILES

C1CC(=O)N(C1)C2CN(N=C2C3=CC=C(S3)Cl)C(=NCCCN4C=CC=N4)NC#N

InChI

InChI=1S/C19H21ClN8OS/c20-16-6-5-15(30-16)18-14(27-11-1-4-17(27)29)12-28(25-18)19(23-13-21)22-7-2-9-26-10-3-8-24-26/h3,5-6,8,10,14H,1-2,4,7,9,11-12H2,(H,22,23)