N-(1,3-benzothiazol-2-yl)-2-[(5,6-dimethyl-7-oxidanylidene-1H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(5,6-dimethyl-7-oxidanylidene-1H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(7-keto-5,6-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]acetamide Formula: C16H14N6O2S2 MolecularWeight: 386.45136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=NC1=O)NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(N2C(=NC1=O)NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C16H14N6O2S2/c1-8-9(2)22-14(19-13(8)24)20-21-16(22)25-7-12(23)18-15-17-10-5-3-4-6-11(10)26-15/h3-6H,7H2,1-2H3,(H,17,18,23)(H,19,20,24)