1-(2-methoxy-4-nitro-phenyl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O3S/c1-17-8-9(7-15-17)6-14-13(22)16-11-4-3-10(18(19)20)5-12(11)21-2/h3-5,7-8H,6H2,1-2H3,(H2,14,16,22)