1-[(1-methylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)CNC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O2S/c1-16-8-9(7-14-16)6-13-12(20)15-10-3-2-4-11(5-10)17(18)19/h2-5,7-8H,6H2,1H3,(H2,13,15,20)