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

Systemtic Name: 3,6-bis(chloranyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C14H11Cl2N5OS3 MolecularWeight: 432.37104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)SC

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)SC

InChI

InChI=1S/C14H11Cl2N5OS3/c1-6-18-19-14(24-2)21(6)20-13(23)17-12(22)11-10(16)8-4-3-7(15)5-9(8)25-11/h3-5H,1-2H3,(H2,17,20,22,23)