1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3S/c1-5-20-11(3)13(10(2)19-20)9-17-16(25)18-14-7-6-12(21(22)23)8-15(14)24-4/h6-8H,5,9H2,1-4H3,(H2,17,18,25)