S-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl] 3-(1H-imidazol-5-yl)propanethioate

Systemtic Name: S-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl] 3-(1H-imidazol-5-yl)propanethioate Openeye Name: S-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl] 3-(1H-imidazol-5-yl)propanethioate CAS Name: 3-(1H-imidazol-5-yl)propanethioic acid S-[1-cyclohexa-2,4-dienyl(diphenyl)methyl] ester IUPAC Name: S-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl] 3-(1H-imidazol-5-yl)propanethioate Traditional Name: 3-(1H-imidazol-5-yl)propanethioic acid S-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl] ester Formula: C25H24N2OS MolecularWeight: 400.53586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)SC(=O)CCC4=CN=CN4

Isomeric SMILES

C1C=CC=CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)SC(=O)CCC4=CN=CN4

InChI

InChI=1S/C25H24N2OS/c28-24(17-16-23-18-26-19-27-23)29-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-14,18-19,22H,15-17H2,(H,26,27)