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

Systemtic Name: 1-methyl-3-(4-nitrophenyl)-1-[(1-phenylpyrazol-4-yl)methyl]thiourea Openeye Name: 1-methyl-3-(4-nitrophenyl)-1-[(1-phenylpyrazol-4-yl)methyl]thiourea CAS Name: 1-methyl-3-(4-nitrophenyl)-1-[(1-phenyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-methyl-3-(4-nitrophenyl)-1-[(1-phenylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-methyl-3-(4-nitrophenyl)-1-[(1-phenylpyrazol-4-yl)methyl]thiourea Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O2S/c1-21(18(26)20-15-7-9-17(10-8-15)23(24)25)12-14-11-19-22(13-14)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,20,26)