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

Systemtic Name: 1-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C18H15BrClN5O3S MolecularWeight: 496.7654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15BrClN5O3S/c1-28-16-8-13(25(26)27)6-7-15(16)21-18(29)22-17-14(19)10-24(23-17)9-11-2-4-12(20)5-3-11/h2-8,10H,9H2,1H3,(H2,21,22,23,29)