2-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(3-pyridylmethyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-N-(3-pyridinylmethyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(3-pyridylmethyl)-1,3-benzothiazole-6-carboxamide Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NCC4=CN=CC=C4)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NCC4=CN=CC=C4)C

InChI

InChI=1S/C20H18N4OS/c1-13-5-6-14(2)24(13)20-23-17-8-7-16(10-18(17)26-20)19(25)22-12-15-4-3-9-21-11-15/h3-11H,12H2,1-2H3,(H,22,25)