azanium 3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanethioate

Systemtic Name: azanium 3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanethioate Openeye Name: ammonium 3-(1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanethioate CAS Name: ammonium 3-(1,3-benzothiazol-2-yl)-4-mercapto-4-oxobutanethioate IUPAC Name: azanium 3-(1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanethioate Traditional Name: ammonium 3-(1,3-benzothiazol-2-yl)-4-keto-4-mercapto-thiobutyrate Formula: C11H12N2O2S3 MolecularWeight: 300.42018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(CC(=S)[O-])C(=O)S.[NH4+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(CC(=S)[O-])C(=O)S.[NH4+]

InChI

InChI=1S/C11H9NO2S3.H3N/c13-9(15)5-6(11(14)16)10-12-7-3-1-2-4-8(7)17-10;/h1-4,6H,5H2,(H,13,15)(H,14,16);1H3