N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[[2-(4-ethylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C23H19N7OS2 MolecularWeight: 473.57326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4)C

InChI

InChI=1S/C23H19N7OS2/c1-3-14-4-7-16(8-5-14)30-26-19-10-13(2)18(12-20(19)27-30)24-23(32)25-22(31)15-6-9-17-21(11-15)29-33-28-17/h4-12H,3H2,1-2H3,(H2,24,25,31,32)