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

Systemtic Name: 4-(4-azanyl-1H-imidazol-5-yl)-N-cyclohexyl-piperidine-1-carbothioamide; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: 4-(4-amino-1H-imidazol-5-yl)-N-cyclohexyl-piperidine-1-carbothioamide; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: 4-(4-amino-1H-imidazol-5-yl)-N-cyclohexyl-1-piperidinecarbothioamide; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one IUPAC Name: 4-(4-amino-1H-imidazol-5-yl)-N-cyclohexylpiperidine-1-carbothioamide; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: 4-(4-amino-1H-imidazol-5-yl)-N-cyclohexyl-piperidine-1-carbothioamide; 5-methyl-4-nitro-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C35H41N13O10S MolecularWeight: 835.84614

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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=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-].C1CCC(CC1)NC(=S)N2CCC(CC2)C3=C(N=CN3)N

Isomeric SMILES

CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-].CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-].C1CCC(CC1)NC(=S)N2CCC(CC2)C3=C(N=CN3)N

InChI

InChI=1S/C15H25N5S.2C10H8N4O5/c16-14-13(17-10-18-14)11-6-8-20(9-7-11)15(21)19-12-4-2-1-3-5-12;2*1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17/h10-12H,1-9,16H2,(H,17,18)(H,19,21);2*2-5,9H,1H3