2-(2-methanoyl-4-nitro-phenyl)sulfanyl-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-(2-methanoyl-4-nitro-phenyl)sulfanyl-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile Openeye Name: 2-(2-formyl-4-nitro-phenyl)sulfanyl-5-methyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-[(2-formyl-4-nitrophenyl)thio]-5-methyl-6-(4-methylphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-(2-formyl-4-nitrophenyl)sulfanyl-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile Traditional Name: 2-[(2-formyl-4-nitro-phenyl)thio]-5-methyl-6-(p-tolyl)nicotinonitrile Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=C(C(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=C(C(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)C#N)C

InChI

InChI=1S/C21H15N3O3S/c1-13-3-5-15(6-4-13)20-14(2)9-16(11-22)21(23-20)28-19-8-7-18(24(26)27)10-17(19)12-25/h3-10,12H,1-2H3