1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(2,5-dimethylphenyl)thiourea

Systemtic Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(2,5-dimethylphenyl)thiourea Openeye Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(2,5-dimethylphenyl)thiourea CAS Name: 1-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-(2,5-dimethylphenyl)thiourea IUPAC Name: 1-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-3-(2,5-dimethylphenyl)thiourea Traditional Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(2,5-dimethylphenyl)thiourea Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)C(C)N2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)C(C)N2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N6O3S/c1-9-6-7-10(2)14(8-9)18-17(27)20-19-16(24)13(5)22-12(4)15(23(25)26)11(3)21-22/h6-8,13H,1-5H3,(H,19,24)(H2,18,20,27)