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

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[[4-(1-pyrazolyl)phenyl]methyl]thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-(4-pyrazol-1-ylbenzyl)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)NCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC=C(C=C2)N3C=CC=N3

InChI

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