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

Systemtic Name: 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[1-[(2,4-dichlorophenyl)methyl]-3-pyrazolyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[1-(2,4-dichlorobenzyl)pyrazol-3-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C18H15Cl2N5O3S MolecularWeight: 452.3144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl2N5O3S/c1-28-16-9-13(25(26)27)4-5-15(16)21-18(29)22-17-6-7-24(23-17)10-11-2-3-12(19)8-14(11)20/h2-9H,10H2,1H3,(H2,21,22,23,29)