4-(4-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: 4-(4-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2,3-thiadiazole-5-carboxamide Openeye Name: 4-(4-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide CAS Name: 4-(4-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-thiadiazolecarboxamide IUPAC Name: 4-(4-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide Formula: C18H14N4O4S3 MolecularWeight: 446.52316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(SN=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(SN=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C18H14N4O4S3/c1-26-11-5-3-10(4-6-11)15-16(28-22-21-15)17(23)20-18-19-13-8-7-12(29(2,24)25)9-14(13)27-18/h3-9H,1-2H3,(H,19,20,23)