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

Systemtic Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C22H17N7O2S2 MolecularWeight: 475.54608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C22H17N7O2S2/c1-2-31-16-7-5-15(6-8-16)29-25-17-10-4-14(12-19(17)26-29)23-22(32)24-21(30)13-3-9-18-20(11-13)28-33-27-18/h3-12H,2H2,1H3,(H2,23,24,30,32)