S-pent-4-ynyl N-(2-ethenylphenyl)-N-(4-methylphenyl)sulfonyl-carbamothioate

Systemtic Name: S-pent-4-ynyl N-(2-ethenylphenyl)-N-(4-methylphenyl)sulfonyl-carbamothioate Openeye Name: S-pent-4-ynyl N-(p-tolylsulfonyl)-N-(2-vinylphenyl)carbamothioate CAS Name: N-(2-ethenylphenyl)-N-(4-methylphenyl)sulfonylcarbamothioic acid S-pent-4-ynyl ester IUPAC Name: S-pent-4-ynyl N-(2-ethenylphenyl)-N-(4-methylphenyl)sulfonylcarbamothioate Traditional Name: N-tosyl-N-(2-vinylphenyl)thiocarbamic acid S-pent-4-ynyl ester Formula: C21H21NO3S2 MolecularWeight: 399.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2C=C)C(=O)SCCCC#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2C=C)C(=O)SCCCC#C

InChI

InChI=1S/C21H21NO3S2/c1-4-6-9-16-26-21(23)22(20-11-8-7-10-18(20)5-2)27(24,25)19-14-12-17(3)13-15-19/h1,5,7-8,10-15H,2,6,9,16H2,3H3