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

Systemtic Name: N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]piazthiole-5-carboxamide Formula: C21H16N6O2S MolecularWeight: 416.45574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N6O2S/c1-12-9-18-19(24-27(23-18)14-4-6-15(29-2)7-5-14)11-17(12)22-21(28)13-3-8-16-20(10-13)26-30-25-16/h3-11H,1-2H3,(H,22,28)