N-[4-(benzotriazol-1-yl)-1-thiophen-2-yl-but-2-ynyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-(benzotriazol-1-yl)-1-thiophen-2-yl-but-2-ynyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-(benzotriazol-1-yl)-1-(2-thienyl)but-2-ynyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-(1-benzotriazolyl)-1-thiophen-2-ylbut-2-ynyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-(benzotriazol-1-yl)-1-thiophen-2-ylbut-2-ynyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-(benzotriazol-1-yl)-1-(2-thienyl)but-2-ynyl]-4-methyl-benzenesulfonamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C#CCN2C3=CC=CC=C3N=N2)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C#CCN2C3=CC=CC=C3N=N2)C4=CC=CS4

InChI

InChI=1S/C21H18N4O2S2/c1-16-10-12-17(13-11-16)29(26,27)23-19(21-9-5-15-28-21)7-4-14-25-20-8-3-2-6-18(20)22-24-25/h2-3,5-6,8-13,15,19,23H,14H2,1H3