N-(4-methylphenyl)sulfonyl-2-[[5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-methylphenyl)sulfonyl-2-[[5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(benzenesulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolylsulfonyl)acetamide CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)sulfonylacetamide IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)sulfonylacetamide Traditional Name: 2-[[4-allyl-5-(besylmethyl)-1,2,4-triazol-3-yl]thio]-N-tosyl-acetamide Formula: C21H22N4O5S3 MolecularWeight: 506.61818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CSC2=NN=C(N2CC=C)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CSC2=NN=C(N2CC=C)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O5S3/c1-3-13-25-19(15-32(27,28)17-7-5-4-6-8-17)22-23-21(25)31-14-20(26)24-33(29,30)18-11-9-16(2)10-12-18/h3-12H,1,13-15H2,2H3,(H,24,26)