N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-(4-phenyl-2H-thiochromen-3-yl)propanamide

Systemtic Name: N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-(4-phenyl-2H-thiochromen-3-yl)propanamide Openeye Name: N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-3-(4-phenyl-2H-thiochromen-3-yl)propanamide CAS Name: N-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-3-(4-phenyl-2H-1-benzothiopyran-3-yl)propanamide IUPAC Name: N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-(4-phenyl-2H-thiochromen-3-yl)propanamide Traditional Name: N-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-3-(4-phenyl-2H-thiochromen-3-yl)propionamide Formula: C26H26N2OS3 MolecularWeight: 478.69244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)SC)NC(=O)CCC2=C(C3=CC=CC=C3SC2)C4=CC=CC=C4)SC

Isomeric SMILES

CC1=NC(=C(C(=C1)SC)NC(=O)CCC2=C(C3=CC=CC=C3SC2)C4=CC=CC=C4)SC

InChI

InChI=1S/C26H26N2OS3/c1-17-15-22(30-2)25(26(27-17)31-3)28-23(29)14-13-19-16-32-21-12-8-7-11-20(21)24(19)18-9-5-4-6-10-18/h4-12,15H,13-14,16H2,1-3H3,(H,28,29)