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

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-[1-(phenylmethyl)pyrazol-3-yl]thiourea Openeye Name: 1-(1-benzylpyrazol-3-yl)-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[1-(phenylmethyl)-3-pyrazolyl]thiourea IUPAC Name: 1-(1-benzylpyrazol-3-yl)-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-(1-benzylpyrazol-3-yl)-3-(2-methoxy-4-nitro-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=NN(C=C2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3

InChI

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