3-[[3-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]methyl]benzoate

Systemtic Name: 3-[[3-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]methyl]benzoate Openeye Name: 3-[[3-(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-5-thioxo-1,2,4-triazolidin-4-yl]methyl]benzoate CAS Name: 3-[[3-(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]methyl]benzoate IUPAC Name: 3-[[3-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]methyl]benzoate Traditional Name: 3-[[3-(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)-5-thioxo-1,2,4-triazolidin-4-yl]methyl]benzoate Formula: C16H11ClN3O3S- MolecularWeight: 360.79484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C(=C3C=C(C=CC3=O)Cl)NNC2=S)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CN2C(=C3C=C(C=CC3=O)Cl)NNC2=S)C(=O)[O-]

InChI

InChI=1S/C16H12ClN3O3S/c17-11-4-5-13(21)12(7-11)14-18-19-16(24)20(14)8-9-2-1-3-10(6-9)15(22)23/h1-7,18H,8H2,(H,19,24)(H,22,23)/p-1