1-(2-methoxy-4-nitro-phenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[3-(1-pyrazolylmethyl)phenyl]thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=CC(=C2)CN3C=CC=N3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=CC(=C2)CN3C=CC=N3

InChI

InChI=1S/C18H17N5O3S/c1-26-17-11-15(23(24)25)6-7-16(17)21-18(27)20-14-5-2-4-13(10-14)12-22-9-3-8-19-22/h2-11H,12H2,1H3,(H2,20,21,27)