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

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)pyrazol-3-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C18H16BrN5O3S MolecularWeight: 462.32034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN5O3S/c1-27-16-10-14(24(25)26)6-7-15(16)20-18(28)21-17-8-9-23(22-17)11-12-2-4-13(19)5-3-12/h2-10H,11H2,1H3,(H2,20,21,22,28)