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

Systemtic Name: 1-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylamino]-1-(4-methoxyphenyl)thiourea Openeye Name: 1-[(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]-1-(4-methoxyphenyl)thiourea CAS Name: 1-[[(2,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-1-(4-methoxyphenyl)thiourea IUPAC Name: 1-[(2,5-dimethyl-4-nitropyrazole-3-carbonyl)amino]-1-(4-methoxyphenyl)thiourea Traditional Name: 1-[(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]-1-(4-methoxyphenyl)thiourea Formula: C14H16N6O4S MolecularWeight: 364.37964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN(C2=CC=C(C=C2)OC)C(=S)N)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN(C2=CC=C(C=C2)OC)C(=S)N)C

InChI

InChI=1S/C14H16N6O4S/c1-8-11(20(22)23)12(18(2)16-8)13(21)17-19(14(15)25)9-4-6-10(24-3)7-5-9/h4-7H,1-3H3,(H2,15,25)(H,17,21)