1-[5-(aminomethyl)-2-methyl-6-(phenylmethylsulfanyl)-4-thiophen-2-yl-pyridin-3-yl]ethanone

Systemtic Name: 1-[5-(aminomethyl)-2-methyl-6-(phenylmethylsulfanyl)-4-thiophen-2-yl-pyridin-3-yl]ethanone Openeye Name: 1-[5-(aminomethyl)-6-benzylsulfanyl-2-methyl-4-(2-thienyl)-3-pyridyl]ethanone CAS Name: 1-[5-(aminomethyl)-2-methyl-6-(phenylmethylthio)-4-thiophen-2-yl-3-pyridinyl]ethanone IUPAC Name: 1-[5-(aminomethyl)-6-benzylsulfanyl-2-methyl-4-thiophen-2-ylpyridin-3-yl]ethanone Traditional Name: 1-[5-(aminomethyl)-6-(benzylthio)-2-methyl-4-(2-thienyl)-3-pyridyl]ethanone Formula: C20H20N2OS2 MolecularWeight: 368.5156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1C(=O)C)C2=CC=CS2)CN)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(C(=C1C(=O)C)C2=CC=CS2)CN)SCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2OS2/c1-13-18(14(2)23)19(17-9-6-10-24-17)16(11-21)20(22-13)25-12-15-7-4-3-5-8-15/h3-10H,11-12,21H2,1-2H3