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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3Cl

InChI

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