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

Systemtic Name: 1-(1,3-dimethylpyrazol-4-yl)-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-(1,3-dimethylpyrazol-4-yl)-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-(1,3-dimethyl-4-pyrazolyl)-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-(1,3-dimethylpyrazol-4-yl)-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-(1,3-dimethylpyrazol-4-yl)-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C13H15N5O3S MolecularWeight: 321.3549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=NN(C=C1NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C

InChI

InChI=1S/C13H15N5O3S/c1-8-11(7-17(2)16-8)15-13(22)14-10-5-4-9(18(19)20)6-12(10)21-3/h4-7H,1-3H3,(H2,14,15,22)