(2E)-2-(5-bromanyl-1-ethyl-2-oxidanylidene-indol-3-ylidene)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (2E)-2-(5-bromanyl-1-ethyl-2-oxidanylidene-indol-3-ylidene)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (2E)-2-(5-bromo-1-ethyl-2-oxo-indolin-3-ylidene)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: (2E)-2-(5-bromo-1-ethyl-2-oxo-3-indolylidene)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: (2E)-2-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: (2E)-2-(5-bromo-1-ethyl-2-keto-indolin-3-ylidene)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetate Formula: C15H12BrN4O3S- MolecularWeight: 408.24978

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)Br)C(=C(C(=O)[O-])SC3=NNC(=N3)C)C1=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)Br)/C(=C(/C(=O)[O-])\SC3=NNC(=N3)C)/C1=O

InChI

InChI=1S/C15H13BrN4O3S/c1-3-20-10-5-4-8(16)6-9(10)11(13(20)21)12(14(22)23)24-15-17-7(2)18-19-15/h4-6H,3H2,1-2H3,(H,22,23)(H,17,18,19)/p-1/b12-11+