S-methyl 5-[(E)-1-(3-cyanophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-2-methoxy-3-methyl-benzenecarbothioate

Systemtic Name: S-methyl 5-[(E)-1-(3-cyanophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-2-methoxy-3-methyl-benzenecarbothioate Openeye Name: S-methyl 5-[(E)-1-(3-cyanophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-2-methoxy-3-methyl-benzenecarbothioate CAS Name: 5-[(E)-1-(3-cyanophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-2-methoxy-3-methylbenzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 5-[(E)-1-(3-cyanophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-2-methoxy-3-methylbenzenecarbothioate Traditional Name: 5-[(E)-1-(3-cyanophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-2-methoxy-3-methyl-thiobenzoic acid S-methyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C(=O)SC)C(=CCCCC2=NN=C(O2)C)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OC)C(=O)SC)/C(=C/CCCC2=NN=C(O2)C)/C3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H25N3O3S/c1-16-12-20(14-22(24(16)30-3)25(29)32-4)21(19-9-7-8-18(13-19)15-26)10-5-6-11-23-28-27-17(2)31-23/h7-10,12-14H,5-6,11H2,1-4H3/b21-10+