ethyl (1E)-N-[5-cyano-4-(4-methylphenyl)-3-nitro-2-phenyl-3,4-dihydro-2H-thiopyran-6-yl]methanimidate

Systemtic Name: ethyl (1E)-N-[5-cyano-4-(4-methylphenyl)-3-nitro-2-phenyl-3,4-dihydro-2H-thiopyran-6-yl]methanimidate Openeye Name: ethyl (1E)-N-[5-cyano-3-nitro-2-phenyl-4-(p-tolyl)-3,4-dihydro-2H-thiopyran-6-yl]methanimidate CAS Name: (1E)-N-[5-cyano-4-(4-methylphenyl)-3-nitro-2-phenyl-3,4-dihydro-2H-thiopyran-6-yl]methanimidic acid ethyl ester IUPAC Name: ethyl (1E)-N-[5-cyano-4-(4-methylphenyl)-3-nitro-2-phenyl-3,4-dihydro-2H-thiopyran-6-yl]methanimidate Traditional Name: (1E)-N-[5-cyano-3-nitro-2-phenyl-4-(p-tolyl)-3,4-dihydro-2H-thiopyran-6-yl]formimidic acid ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=NC1=C(C(C(C(S1)C2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCO/C=N/C1=C(C(C(C(S1)C2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C22H21N3O3S/c1-3-28-14-24-22-18(13-23)19(16-11-9-15(2)10-12-16)20(25(26)27)21(29-22)17-7-5-4-6-8-17/h4-12,14,19-21H,3H2,1-2H3/b24-14+