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

Systemtic Name: N-(phenylmethyl)-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-benzyl-acetamide CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-benzylacetamide Traditional Name: 2-[[4-allyl-5-(besylmethyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-acetamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S2/c1-2-13-25-19(16-30(27,28)18-11-7-4-8-12-18)23-24-21(25)29-15-20(26)22-14-17-9-5-3-6-10-17/h2-12H,1,13-16H2,(H,22,26)