2-(1,3-benzothiazol-2-yl)-4-oxidanidyl-4-sulfanylidene-butanoate; tributylazanium

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-oxidanidyl-4-sulfanylidene-butanoate; tributylazanium Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-oxido-4-thioxo-butanoate; tributylammonium CAS Name: 2-(1,3-benzothiazol-2-yl)-4-oxido-4-sulfanylidenebutanoate; tributylammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-oxido-4-sulfanylidenebutanoate; tributylazanium Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-oxido-4-thioxo-butyrate; tributylammonium Formula: C35H63N3O3S2 MolecularWeight: 638.02302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H27N.C11H9NO3S2/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;13-9(16)5-6(11(14)15)10-12-7-3-1-2-4-8(7)17-10/h2*4-12H2,1-3H3;1-4,6H,5H2,(H,13,16)(H,14,15)