N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(2,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethyl-4-nitropyrazole-3-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)pyrazolidine-1-carbothioamide Formula: C18H26N6O3S MolecularWeight: 406.50244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)N2CCCN2C(=S)NCCC3=CCCCC3)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)N2CCCN2C(=S)NCCC3=CCCCC3)C

InChI

InChI=1S/C18H26N6O3S/c1-13-15(24(26)27)16(21(2)20-13)17(25)22-11-6-12-23(22)18(28)19-10-9-14-7-4-3-5-8-14/h7H,3-6,8-12H2,1-2H3,(H,19,28)