N-[2-(cyclohexen-1-yl)ethyl]-2-(5-nitrofuran-2-yl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(5-nitrofuran-2-yl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(5-nitrofuran-2-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(5-nitro-2-furanyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(5-nitrofuran-2-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(5-nitro-2-furoyl)pyrazolidine-1-carbothioamide Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S/c22-16(14-7-8-15(25-14)21(23)24)19-11-4-12-20(19)17(26)18-10-9-13-5-2-1-3-6-13/h5,7-8H,1-4,6,9-12H2,(H,18,26)