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

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-N-cyano-4-(2-oxidanylidenepyrrolidin-1-yl)-N'-phenethyl-3,4-dihydropyrazole-2-carboximidamide Openeye Name: 5-(5-chloro-2-thienyl)-N-cyano-4-(2-oxopyrrolidin-1-yl)-N'-phenethyl-3,4-dihydropyrazole-2-carboxamidine CAS Name: 5-(5-chloro-2-thiophenyl)-N-cyano-4-(2-oxo-1-pyrrolidinyl)-N'-phenethyl-3,4-dihydropyrazole-2-carboximidamide IUPAC Name: 5-(5-chlorothiophen-2-yl)-N-cyano-4-(2-oxopyrrolidin-1-yl)-N'-phenethyl-3,4-dihydropyrazole-2-carboximidamide Traditional Name: 3-(5-chloro-2-thienyl)-N-cyano-4-(2-ketopyrrolidino)-N'-phenethyl-2-pyrazoline-1-carboxamidine Formula: C21H21ClN6OS MolecularWeight: 440.94904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2CN(N=C2C3=CC=C(S3)Cl)C(=NCCC4=CC=CC=C4)NC#N

Isomeric SMILES

C1CC(=O)N(C1)C2CN(N=C2C3=CC=C(S3)Cl)C(=NCCC4=CC=CC=C4)NC#N

InChI

InChI=1S/C21H21ClN6OS/c22-18-9-8-17(30-18)20-16(27-12-4-7-19(27)29)13-28(26-20)21(25-14-23)24-11-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,16H,4,7,10-13H2,(H,24,25)