N-[1-ethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]pyridine-3-carboxamide

Systemtic Name: N-[1-ethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]pyridine-3-carboxamide Openeye Name: N-[1-ethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]pyridine-3-carboxamide CAS Name: N-[1-ethyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-benzimidazolyl]-3-pyridinecarboxamide IUPAC Name: N-[1-ethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]pyridine-3-carboxamide Traditional Name: N-[1-ethyl-2-[[(4-methylpyrimidin-2-yl)thio]methyl]benzimidazol-5-yl]nicotinamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CN=CC=C3)N=C1CSC4=NC=CC(=N4)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CN=CC=C3)N=C1CSC4=NC=CC(=N4)C

InChI

InChI=1S/C21H20N6OS/c1-3-27-18-7-6-16(25-20(28)15-5-4-9-22-12-15)11-17(18)26-19(27)13-29-21-23-10-8-14(2)24-21/h4-12H,3,13H2,1-2H3,(H,25,28)