3,6-bis(chloranyl)-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C26H15Cl2N5OS2 MolecularWeight: 548.4662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC(=CC4=N3)NC(=S)NC(=O)C5=C(C6=C(S5)C=C(C=C6)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC(=CC4=N3)NC(=S)NC(=O)C5=C(C6=C(S5)C=C(C=C6)Cl)Cl

InChI

InChI=1S/C26H15Cl2N5OS2/c27-15-8-10-18-22(12-15)36-24(23(18)28)25(34)30-26(35)29-16-9-11-19-20(13-16)32-33(31-19)21-7-3-5-14-4-1-2-6-17(14)21/h1-13H,(H2,29,30,34,35)