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

Systemtic Name: N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[[2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C21H15N7OS2 MolecularWeight: 445.5201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C21H15N7OS2/c1-12-2-6-15(7-3-12)28-24-16-9-5-14(11-18(16)25-28)22-21(30)23-20(29)13-4-8-17-19(10-13)27-31-26-17/h2-11H,1H3,(H2,22,23,29,30)