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

Systemtic Name: 2-azanyl-4-methyl-6-[2-(6-nitro-1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-methyl-6-[2-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-ethyl]sulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-methyl-6-[[2-(6-nitro-1,3-benzothiazol-2-yl)-2-oxoethyl]thio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-methyl-6-[2-(6-nitro-1,3-benzothiazol-2-yl)-2-oxoethyl]sulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-(6-nitro-1,3-benzothiazol-2-yl)ethyl]thio]-4-methyl-dinicotinonitrile Formula: C17H10N6O3S2 MolecularWeight: 410.4297

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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)[N+](=O)[O-])N)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1C#N)SCC(=O)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C17H10N6O3S2/c1-8-10(5-18)15(20)22-16(11(8)6-19)27-7-13(24)17-21-12-3-2-9(23(25)26)4-14(12)28-17/h2-4H,7H2,1H3,(H2,20,22)