5-chloranyl-N-[(3-methoxypyridin-4-yl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 5-chloranyl-N-[(3-methoxypyridin-4-yl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 5-chloro-N-[(3-methoxy-4-pyridyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 5-chloro-N-[(3-methoxy-4-pyridinyl)methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 5-chloro-N-[(3-methoxypyridin-4-yl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 5-chloro-N-[(3-methoxy-4-pyridyl)methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C22H18ClN3O2S MolecularWeight: 423.91522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CN=C1)CNC(=O)C2=C(C3=C(N2)C=CC(=C3)Cl)SC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CN=C1)CNC(=O)C2=C(C3=C(N2)C=CC(=C3)Cl)SC4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3O2S/c1-28-19-13-24-10-9-14(19)12-25-22(27)20-21(29-16-5-3-2-4-6-16)17-11-15(23)7-8-18(17)26-20/h2-11,13,26H,12H2,1H3,(H,25,27)