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

Systemtic Name: N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]piazthiole-5-carboxamide Formula: C20H13FN6OS MolecularWeight: 404.420223

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C20H13FN6OS/c1-11-8-17-18(24-27(23-17)14-5-3-13(21)4-6-14)10-16(11)22-20(28)12-2-7-15-19(9-12)26-29-25-15/h2-10H,1H3,(H,22,28)