5-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-2-thiolate

Systemtic Name: 5-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-2-thiolate Openeye Name: 5-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxo-ethyl]-4-methyl-thiazole-2-thiolate CAS Name: 5-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]-4-methyl-2-thiazolethiolate IUPAC Name: 5-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-2-thiolate Traditional Name: 5-[2-(1,3-benzothiazol-2-ylmethylamino)-2-keto-ethyl]-4-methyl-thiazole-2-thiolate Formula: C14H12N3OS3- MolecularWeight: 334.45958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)[S-])CC(=O)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(SC(=N1)[S-])CC(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H13N3OS3/c1-8-11(21-14(19)16-8)6-12(18)15-7-13-17-9-4-2-3-5-10(9)20-13/h2-5H,6-7H2,1H3,(H,15,18)(H,16,19)/p-1