N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C20H12ClN7OS2 MolecularWeight: 465.93858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C20H12ClN7OS2/c21-13-9-16-17(25-28(24-16)12-4-2-1-3-5-12)10-15(13)22-20(30)23-19(29)11-6-7-14-18(8-11)27-31-26-14/h1-10H,(H2,22,23,29,30)