1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)pyrazol-3-yl]-3-(4-nitrophenyl)thiourea Formula: C17H14BrN5O2S MolecularWeight: 432.29436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=CC(=N2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1CN2C=CC(=N2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H14BrN5O2S/c18-13-3-1-12(2-4-13)11-22-10-9-16(21-22)20-17(26)19-14-5-7-15(8-6-14)23(24)25/h1-10H,11H2,(H2,19,20,21,26)