3-[4-(2-bromophenyl)-1-oxidanylidene-2-phenyl-1,2,3,5-thiatriazol-5-yl]propanenitrile

Systemtic Name: 3-[4-(2-bromophenyl)-1-oxidanylidene-2-phenyl-1,2,3,5-thiatriazol-5-yl]propanenitrile Openeye Name: 3-[4-(2-bromophenyl)-1-oxo-2-phenyl-1,2,3,5-thiatriazol-5-yl]propanenitrile CAS Name: 3-[4-(2-bromophenyl)-1-oxo-2-phenyl-1,2,3,5-thiatriazol-5-yl]propanenitrile IUPAC Name: 3-[4-(2-bromophenyl)-1-oxo-2-phenyl-1,2,3,5-thiatriazol-5-yl]propanenitrile Traditional Name: 3-[4-(2-bromophenyl)-1-keto-2-phenyl-1,2,3,5-thiatriazol-5-yl]propionitrile Formula: C16H13BrN4OS MolecularWeight: 389.26962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C(N(S2=O)CCC#N)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)N2N=C(N(S2=O)CCC#N)C3=CC=CC=C3Br

InChI

InChI=1S/C16H13BrN4OS/c17-15-10-5-4-9-14(15)16-19-21(13-7-2-1-3-8-13)23(22)20(16)12-6-11-18/h1-5,7-10H,6,12H2