5-chloranyl-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]-3-methyl-1-benzothiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]-3-methyl-1-benzothiophene-2-sulfonamide Openeye Name: 5-chloro-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]-3-methyl-benzothiophene-2-sulfonamide CAS Name: 5-chloro-N-[2-[4-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]ethyl]-3-methyl-1-benzothiophene-2-sulfonamide IUPAC Name: 5-chloro-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]-3-methyl-1-benzothiophene-2-sulfonamide Traditional Name: 5-chloro-N-[2-[4-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]ethyl]-3-methyl-benzothiophene-2-sulfonamide Formula: C21H21ClN4O3S3 MolecularWeight: 509.06444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NCCC3=NN=C(N3C4=CC=C(C=C4)OC)SC

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NCCC3=NN=C(N3C4=CC=C(C=C4)OC)SC

InChI

InChI=1S/C21H21ClN4O3S3/c1-13-17-12-14(22)4-9-18(17)31-20(13)32(27,28)23-11-10-19-24-25-21(30-3)26(19)15-5-7-16(29-2)8-6-15/h4-9,12,23H,10-11H2,1-3H3