5-[(5-bromanyl-1,3-benzothiazol-2-yl)diazenyl]-2,6-bis(2-methoxyethylamino)-4-methyl-pyridine-3-carbonitrile

Systemtic Name: 5-[(5-bromanyl-1,3-benzothiazol-2-yl)diazenyl]-2,6-bis(2-methoxyethylamino)-4-methyl-pyridine-3-carbonitrile Openeye Name: 5-[(5-bromo-1,3-benzothiazol-2-yl)azo]-2,6-bis(2-methoxyethylamino)-4-methyl-pyridine-3-carbonitrile CAS Name: 5-[(5-bromo-1,3-benzothiazol-2-yl)azo]-2,6-bis(2-methoxyethylamino)-4-methyl-3-pyridinecarbonitrile IUPAC Name: 5-[(5-bromo-1,3-benzothiazol-2-yl)diazenyl]-2,6-bis(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile Traditional Name: 5-[(5-bromo-1,3-benzothiazol-2-yl)azo]-2,6-bis(2-methoxyethylamino)-4-methyl-nicotinonitrile Formula: C20H22BrN7O2S MolecularWeight: 504.40338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1N=NC2=NC3=C(S2)C=CC(=C3)Br)NCCOC)NCCOC)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1N=NC2=NC3=C(S2)C=CC(=C3)Br)NCCOC)NCCOC)C#N

InChI

InChI=1S/C20H22BrN7O2S/c1-12-14(11-22)18(23-6-8-29-2)26-19(24-7-9-30-3)17(12)27-28-20-25-15-10-13(21)4-5-16(15)31-20/h4-5,10H,6-9H2,1-3H3,(H2,23,24,26)