1-(4-bromophenyl)-3-[(5-phenyl-1-pyridin-3-yl-1,2,4-triazol-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-bromophenyl)-3-[(5-phenyl-1-pyridin-3-yl-1,2,4-triazol-3-yl)carbonylamino]thiourea Openeye Name: 1-(4-bromophenyl)-3-[[5-phenyl-1-(3-pyridyl)-1,2,4-triazole-3-carbonyl]amino]thiourea CAS Name: 1-(4-bromophenyl)-3-[[oxo-[5-phenyl-1-(3-pyridinyl)-1,2,4-triazol-3-yl]methyl]amino]thiourea IUPAC Name: 1-(4-bromophenyl)-3-[(5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carbonyl)amino]thiourea Traditional Name: 1-(4-bromophenyl)-3-[[5-phenyl-1-(3-pyridyl)-1,2,4-triazole-3-carbonyl]amino]thiourea Formula: C21H16BrN7OS MolecularWeight: 494.36704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=CN=CC=C3)C(=O)NNC(=S)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CN=CC=C3)C(=O)NNC(=S)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN7OS/c22-15-8-10-16(11-9-15)24-21(31)27-26-20(30)18-25-19(14-5-2-1-3-6-14)29(28-18)17-7-4-12-23-13-17/h1-13H,(H,26,30)(H2,24,27,31)