N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[[2-(4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C21H15N7O2S2 MolecularWeight: 461.5195

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C21H15N7O2S2/c1-30-15-6-4-14(5-7-15)28-24-16-9-3-13(11-18(16)25-28)22-21(31)23-20(29)12-2-8-17-19(10-12)27-32-26-17/h2-11H,1H3,(H2,22,23,29,31)