4-chloranyl-1-pyrimidin-2-yl-N-(thian-4-ylmethyl)indole-3-carboxamide

Systemtic Name: 4-chloranyl-1-pyrimidin-2-yl-N-(thian-4-ylmethyl)indole-3-carboxamide Openeye Name: 4-chloro-1-pyrimidin-2-yl-N-(tetrahydrothiopyran-4-ylmethyl)indole-3-carboxamide CAS Name: 4-chloro-1-(2-pyrimidinyl)-N-(4-thianylmethyl)-3-indolecarboxamide IUPAC Name: 4-chloro-1-pyrimidin-2-yl-N-(thian-4-ylmethyl)indole-3-carboxamide Traditional Name: 4-chloro-1-(2-pyrimidyl)-N-(tetrahydrothiopyran-4-ylmethyl)indole-3-carboxamide Formula: C19H19ClN4OS MolecularWeight: 386.89836

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1CNC(=O)C2=CN(C3=C2C(=CC=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CSCCC1CNC(=O)C2=CN(C3=C2C(=CC=C3)Cl)C4=NC=CC=N4

InChI

InChI=1S/C19H19ClN4OS/c20-15-3-1-4-16-17(15)14(12-24(16)19-21-7-2-8-22-19)18(25)23-11-13-5-9-26-10-6-13/h1-4,7-8,12-13H,5-6,9-11H2,(H,23,25)