1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C

InChI

InChI=1S/C16H21N5O3S/c1-11-9-12(2)20(19-11)8-4-7-17-16(25)18-14-6-5-13(21(22)23)10-15(14)24-3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,17,18,25)