N-cyclohexyl-4-(5-methyl-1H-imidazol-4-yl)piperidine-1-carbothioamide; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one

Systemtic Name: N-cyclohexyl-4-(5-methyl-1H-imidazol-4-yl)piperidine-1-carbothioamide; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: N-cyclohexyl-4-(5-methyl-1H-imidazol-4-yl)piperidine-1-carbothioamide; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: N-cyclohexyl-4-(5-methyl-1H-imidazol-4-yl)-1-piperidinecarbothioamide; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one IUPAC Name: N-cyclohexyl-4-(5-methyl-1H-imidazol-4-yl)piperidine-1-carbothioamide; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: N-cyclohexyl-4-(5-methyl-1H-imidazol-4-yl)piperidine-1-carbothioamide; 5-methyl-4-nitro-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C26H34N8O5S MolecularWeight: 570.66376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-].CC1=C(N=CN1)C2CCN(CC2)C(=S)NC3CCCCC3

Isomeric SMILES

CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-].CC1=C(N=CN1)C2CCN(CC2)C(=S)NC3CCCCC3

InChI

InChI=1S/C16H26N4S.C10H8N4O5/c1-12-15(18-11-17-12)13-7-9-20(10-8-13)16(21)19-14-5-3-2-4-6-14;1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17/h11,13-14H,2-10H2,1H3,(H,17,18)(H,19,21);2-5,9H,1H3