3,6-bis(chloranyl)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3,6-dichloro-benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-3,6-dichloro-benzothiophene-2-carboxamide Formula: C19H14Cl2N4OS2 MolecularWeight: 449.37666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)SCC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C19H14Cl2N4OS2/c1-11-22-23-19(27-10-12-5-3-2-4-6-12)25(11)24-18(26)17-16(21)14-8-7-13(20)9-15(14)28-17/h2-9H,10H2,1H3,(H,24,26)