2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[5-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[5-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[5-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C17H14BrN5O4S MolecularWeight: 464.29316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14BrN5O4S/c1-22-16(13-8-10(18)2-7-14(13)24)20-21-17(22)28-9-15(25)19-11-3-5-12(6-4-11)23(26)27/h2-8,20H,9H2,1H3,(H,19,25)