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

Systemtic Name: 1-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[[(2,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[(2,5-dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]-3-(3-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)NNC(=S)NC2=CC(=CC=C2)OC)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NNC(=S)NC2=CC(=CC=C2)OC)C

InChI

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