2,5-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide Openeye Name: 2,5-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-(2-pyridylmethyl)pyrrole-3-carboxamide CAS Name: 2,5-dimethyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-(2-pyridinylmethyl)-3-pyrrolecarboxamide IUPAC Name: 2,5-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-(2-pyridylmethyl)pyrrole-3-carboxamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=N2)C)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=N2)C)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C21H20N4OS2/c1-13-10-17(14(2)25(13)12-16-6-4-5-9-22-16)20(26)23-15-7-8-18-19(11-15)28-21(24-18)27-3/h4-11H,12H2,1-3H3,(H,23,26)