5-chloranyl-N-[2-ethyl-1-[2-(phenylmethyl)-1,2,4-triazol-3-yl]butyl]thiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-N-[2-ethyl-1-[2-(phenylmethyl)-1,2,4-triazol-3-yl]butyl]thiophene-2-sulfonamide Openeye Name: N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-ethyl-butyl]-5-chloro-thiophene-2-sulfonamide CAS Name: 5-chloro-N-[2-ethyl-1-[2-(phenylmethyl)-1,2,4-triazol-3-yl]butyl]-2-thiophenesulfonamide IUPAC Name: N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide Traditional Name: N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-ethyl-butyl]-5-chloro-thiophene-2-sulfonamide Formula: C19H23ClN4O2S2 MolecularWeight: 438.99452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1=NC=NN1CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCC(CC)C(C1=NC=NN1CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H23ClN4O2S2/c1-3-15(4-2)18(23-28(25,26)17-11-10-16(20)27-17)19-21-13-22-24(19)12-14-8-6-5-7-9-14/h5-11,13,15,18,23H,3-4,12H2,1-2H3