5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-4,6-dimethyl-2-(3-nitropyridin-2-yl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-4,6-dimethyl-2-(3-nitropyridin-2-yl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-[2-(4-bromophenyl)-2-oxo-ethyl]-4,6-dimethyl-2-[(3-nitro-2-pyridyl)sulfanyl]pyridine-3-carbonitrile CAS Name: 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-[(3-nitro-2-pyridinyl)thio]-3-pyridinecarbonitrile IUPAC Name: 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-(3-nitropyridin-2-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 5-[2-(4-bromophenyl)-2-keto-ethyl]-4,6-dimethyl-2-[(3-nitro-2-pyridyl)thio]nicotinonitrile Formula: C21H15BrN4O3S MolecularWeight: 483.3378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1CC(=O)C2=CC=C(C=C2)Br)C)SC3=C(C=CC=N3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NC(=C1CC(=O)C2=CC=C(C=C2)Br)C)SC3=C(C=CC=N3)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H15BrN4O3S/c1-12-16(10-19(27)14-5-7-15(22)8-6-14)13(2)25-20(17(12)11-23)30-21-18(26(28)29)4-3-9-24-21/h3-9H,10H2,1-2H3