4,5,6-trimethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H15N3O3S/c1-10-11(2)15(8-18)17(19-12(10)3)24-9-16(21)13-4-6-14(7-5-13)20(22)23/h4-7H,9H2,1-3H3