1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C26H25N5O4S MolecularWeight: 503.5728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C26H25N5O4S/c1-17-25(28-26(36)27-23-13-12-20(31(32)33)15-24(23)34-3)18(2)30(29-17)16-19-8-7-11-22(14-19)35-21-9-5-4-6-10-21/h4-15H,16H2,1-3H3,(H2,27,28,36)