1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[(1,5-dimethyl-4-pyrazolyl)methyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CNC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C)CNC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O2S/c1-9-10(8-15-17(9)2)7-14-13(21)16-11-4-3-5-12(6-11)18(19)20/h3-6,8H,7H2,1-2H3,(H2,14,16,21)