1-(3-methoxyphenyl)-3-[[1-(3-nitrophenyl)pyrazol-3-yl]carbonylamino]thiourea

Systemtic Name: 1-(3-methoxyphenyl)-3-[[1-(3-nitrophenyl)pyrazol-3-yl]carbonylamino]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[[[1-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]thiourea Traditional Name: 1-(3-methoxyphenyl)-3-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]thiourea Formula: C18H16N6O4S MolecularWeight: 412.42244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O4S/c1-28-15-7-2-4-12(10-15)19-18(29)21-20-17(25)16-8-9-23(22-16)13-5-3-6-14(11-13)24(26)27/h2-11H,1H3,(H,20,25)(H2,19,21,29)