3-[3-(4-bromophenyl)-4-[[(4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(4-bromophenyl)-4-[[(4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(4-bromophenyl)-4-[[(4-oxothiazol-2-yl)hydrazono]methyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(4-bromophenyl)-4-[[(4-oxo-2-thiazolyl)hydrazinylidene]methyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(4-bromophenyl)-4-[[(4-oxo-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(4-bromophenyl)-4-[[(4-keto-2-thiazolin-2-yl)hydrazono]methyl]pyrazol-1-yl]propionitrile Formula: C16H13BrN6OS MolecularWeight: 417.28302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C(S1)NN=CC2=CN(N=C2C3=CC=C(C=C3)Br)CCC#N

Isomeric SMILES

C1C(=O)N=C(S1)NN=CC2=CN(N=C2C3=CC=C(C=C3)Br)CCC#N

InChI

InChI=1S/C16H13BrN6OS/c17-13-4-2-11(3-5-13)15-12(9-23(22-15)7-1-6-18)8-19-21-16-20-14(24)10-25-16/h2-5,8-9H,1,7,10H2,(H,20,21,24)