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

Systemtic Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C21H15N7OS2 MolecularWeight: 445.5201

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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=CC=C5

Isomeric SMILES

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

InChI

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