2-azanyl-6-[2-(6-bromanyl-1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-(6-bromanyl-1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxo-ethyl]sulfanyl-4-methyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl]thio]-4-methylpyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl]sulfanyl-4-methylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(6-bromo-1,3-benzothiazol-2-yl)-2-keto-ethyl]thio]-4-methyl-dinicotinonitrile Formula: C17H10BrN5OS2 MolecularWeight: 444.3282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1C#N)SCC(=O)C2=NC3=C(S2)C=C(C=C3)Br)N)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1C#N)SCC(=O)C2=NC3=C(S2)C=C(C=C3)Br)N)C#N

InChI

InChI=1S/C17H10BrN5OS2/c1-8-10(5-19)15(21)23-16(11(8)6-20)25-7-13(24)17-22-12-3-2-9(18)4-14(12)26-17/h2-4H,7H2,1H3,(H2,21,23)