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

Systemtic Name: 3,6-bis(chloranyl)-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C15H13Cl2N5OS3 MolecularWeight: 446.39762

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C15H13Cl2N5OS3/c1-3-25-15-20-19-7(2)22(15)21-14(24)18-13(23)12-11(17)9-5-4-8(16)6-10(9)26-12/h4-6H,3H2,1-2H3,(H2,18,21,23,24)