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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCN1C=CC(=N1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

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