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

Systemtic Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[[2-(4-chlorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C21H14ClN7OS2 MolecularWeight: 479.96516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC4=NSN=C4C=C3)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC4=NSN=C4C=C3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H14ClN7OS2/c1-11-8-17-18(26-29(25-17)14-5-3-13(22)4-6-14)10-16(11)23-21(31)24-20(30)12-2-7-15-19(9-12)28-32-27-15/h2-10H,1H3,(H2,23,24,30,31)