4,5,6-trimethyl-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[(4-methylsulfonyl-2-nitrophenyl)thio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-(4-methylsulfonyl-2-nitrophenyl)sulfanylpyridine-3-carbonitrile Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]-4,5,6-trimethyl-nicotinonitrile Formula: C16H15N3O4S2 MolecularWeight: 377.438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H15N3O4S2/c1-9-10(2)13(8-17)16(18-11(9)3)24-15-6-5-12(25(4,22)23)7-14(15)19(20)21/h5-7H,1-4H3