(4,5-diphenyl-1,2,4-triazol-3-yl) (1Z)-N-[(4-bromophenyl)amino]-2-oxidanylidene-propanimidothioate

Systemtic Name: (4,5-diphenyl-1,2,4-triazol-3-yl) (1Z)-N-[(4-bromophenyl)amino]-2-oxidanylidene-propanimidothioate Openeye Name: (4,5-diphenyl-1,2,4-triazol-3-yl) (1Z)-N-(4-bromoanilino)-2-oxo-propanimidothioate CAS Name: (1Z)-N-(4-bromoanilino)-2-oxopropanimidothioic acid (4,5-diphenyl-1,2,4-triazol-3-yl) ester IUPAC Name: (4,5-diphenyl-1,2,4-triazol-3-yl) (1Z)-N-(4-bromoanilino)-2-oxopropanimidothioate Traditional Name: (1Z)-N-(4-bromoanilino)-2-keto-thiopropionimidic acid (4,5-diphenyl-1,2,4-triazol-3-yl) ester Formula: C23H18BrN5OS MolecularWeight: 492.39092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC=C(C=C1)Br)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)/C(=N/NC1=CC=C(C=C1)Br)/SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H18BrN5OS/c1-16(30)22(27-25-19-14-12-18(24)13-15-19)31-23-28-26-21(17-8-4-2-5-9-17)29(23)20-10-6-3-7-11-20/h2-15,25H,1H3/b27-22-