6-cyclopropyl-2-(2,4-dinitrophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 6-cyclopropyl-2-(2,4-dinitrophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile Openeye Name: 6-cyclopropyl-2-(2,4-dinitrophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile CAS Name: 6-cyclopropyl-2-[(2,4-dinitrophenyl)thio]-4-(4-methoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 6-cyclopropyl-2-(2,4-dinitrophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile Traditional Name: 6-cyclopropyl-2-[(2,4-dinitrophenyl)thio]-4-(4-methoxyphenyl)nicotinonitrile Formula: C22H16N4O5S MolecularWeight: 448.45124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4CC4

InChI

InChI=1S/C22H16N4O5S/c1-31-16-7-4-13(5-8-16)17-11-19(14-2-3-14)24-22(18(17)12-23)32-21-9-6-15(25(27)28)10-20(21)26(29)30/h4-11,14H,2-3H2,1H3