N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C20H13N7OS2 MolecularWeight: 431.49352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13N7OS2/c28-19(12-6-8-16-18(10-12)26-30-25-16)22-20(29)21-13-7-9-15-17(11-13)24-27(23-15)14-4-2-1-3-5-14/h1-11H,(H2,21,22,28,29)