1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(4-nitrophenyl)thiourea Formula: C15H17N7O5S MolecularWeight: 407.40438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C15H17N7O5S/c1-9-14(22(26)27)10(2)20(19-9)8-7-13(23)17-18-15(28)16-11-3-5-12(6-4-11)21(24)25/h3-6H,7-8H2,1-2H3,(H,17,23)(H2,16,18,28)