prop-2-enyl 4-[3-[2-(4-methylphenyl)phenyl]prop-2-ynethioylamino]benzoate

Systemtic Name: prop-2-enyl 4-[3-[2-(4-methylphenyl)phenyl]prop-2-ynethioylamino]benzoate Openeye Name: allyl 4-[3-[2-(p-tolyl)phenyl]prop-2-ynethioylamino]benzoate CAS Name: 4-[[3-[2-(4-methylphenyl)phenyl]-1-sulfanylideneprop-2-ynyl]amino]benzoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[3-[2-(4-methylphenyl)phenyl]prop-2-ynethioylamino]benzoate Traditional Name: 4-[[3-[2-(p-tolyl)phenyl]thiopropioloyl]amino]benzoic acid allyl ester Formula: C26H21NO2S MolecularWeight: 411.51544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2C#CC(=S)NC3=CC=C(C=C3)C(=O)OCC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2C#CC(=S)NC3=CC=C(C=C3)C(=O)OCC=C

InChI

InChI=1S/C26H21NO2S/c1-3-18-29-26(28)22-12-15-23(16-13-22)27-25(30)17-14-20-6-4-5-7-24(20)21-10-8-19(2)9-11-21/h3-13,15-16H,1,18H2,2H3,(H,27,30)