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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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