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

Systemtic Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[(1,3-diphenyl-4-pyrazolyl)methyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N5O3S/c1-32-22-14-20(29(30)31)12-13-21(22)26-24(33)25-15-18-16-28(19-10-6-3-7-11-19)27-23(18)17-8-4-2-5-9-17/h2-14,16H,15H2,1H3,(H2,25,26,33)