4-cyclopropyl-2-(2,4-dinitrophenyl)sulfanyl-6-(4-methoxyphenyl)benzenecarbonitrile

Systemtic Name: 4-cyclopropyl-2-(2,4-dinitrophenyl)sulfanyl-6-(4-methoxyphenyl)benzenecarbonitrile Openeye Name: 4-cyclopropyl-2-(2,4-dinitrophenyl)sulfanyl-6-(4-methoxyphenyl)benzonitrile CAS Name: 4-cyclopropyl-2-[(2,4-dinitrophenyl)thio]-6-(4-methoxyphenyl)benzonitrile IUPAC Name: 4-cyclopropyl-2-(2,4-dinitrophenyl)sulfanyl-6-(4-methoxyphenyl)benzonitrile Traditional Name: 4-cyclopropyl-2-[(2,4-dinitrophenyl)thio]-6-(4-methoxyphenyl)benzonitrile Formula: C23H17N3O5S MolecularWeight: 447.46318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17N3O5S/c1-31-18-7-4-15(5-8-18)19-10-16(14-2-3-14)11-23(20(19)13-24)32-22-9-6-17(25(27)28)12-21(22)26(29)30/h4-12,14H,2-3H2,1H3