2-[2-(3-cyanopropylsulfanyl)pyridin-3-yl]carbonyl-N-[2-(cyclohexen-1-yl)ethyl]pyrazolidine-1-carbothioamide

Systemtic Name: 2-[2-(3-cyanopropylsulfanyl)pyridin-3-yl]carbonyl-N-[2-(cyclohexen-1-yl)ethyl]pyrazolidine-1-carbothioamide Openeye Name: 2-[2-(3-cyanopropylsulfanyl)pyridine-3-carbonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyrazolidine-1-carbothioamide CAS Name: 2-[[2-(3-cyanopropylthio)-3-pyridinyl]-oxomethyl]-N-[2-(1-cyclohexenyl)ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(3-cyanopropylsulfanyl)pyridine-3-carbonyl]-N-[2-(cyclohexen-1-yl)ethyl]pyrazolidine-1-carbothioamide Traditional Name: 2-[2-(3-cyanopropylthio)nicotinoyl]-N-[2-(cyclohexen-1-yl)ethyl]pyrazolidine-1-carbothioamide Formula: C22H29N5OS2 MolecularWeight: 443.62856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)C3=C(N=CC=C3)SCCCC#N

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)C3=C(N=CC=C3)SCCCC#N

InChI

InChI=1S/C22H29N5OS2/c23-12-4-5-17-30-20-19(10-6-13-24-20)21(28)26-15-7-16-27(26)22(29)25-14-11-18-8-2-1-3-9-18/h6,8,10,13H,1-5,7,9,11,14-17H2,(H,25,29)