1-(2-methoxy-4-nitro-phenyl)-3-(1-methylpyrazol-3-yl)thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-(1-methylpyrazol-3-yl)thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-(1-methylpyrazol-3-yl)thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-(1-methyl-3-pyrazolyl)thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-(1-methylpyrazol-3-yl)thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-(1-methylpyrazol-3-yl)thiourea Formula: C12H13N5O3S MolecularWeight: 307.32832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CN1C=CC(=N1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C12H13N5O3S/c1-16-6-5-11(15-16)14-12(21)13-9-4-3-8(17(18)19)7-10(9)20-2/h3-7H,1-2H3,(H2,13,14,15,21)