N-[3-[4-(3-methylphenyl)-2-(2-methylsulfanylethyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide

Systemtic Name: N-[3-[4-(3-methylphenyl)-2-(2-methylsulfanylethyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide Openeye Name: N-[3-[2-(2-methylsulfanylethyl)-4-(m-tolyl)thiazol-5-yl]-2-pyridyl]propanamide CAS Name: N-[3-[4-(3-methylphenyl)-2-[2-(methylthio)ethyl]-5-thiazolyl]-2-pyridinyl]propanamide IUPAC Name: N-[3-[4-(3-methylphenyl)-2-(2-methylsulfanylethyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide Traditional Name: N-[3-[2-[2-(methylthio)ethyl]-4-(m-tolyl)thiazol-5-yl]-2-pyridyl]propionamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC=N1)C2=C(N=C(S2)CCSC)C3=CC(=CC=C3)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC=N1)C2=C(N=C(S2)CCSC)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H23N3OS2/c1-4-17(25)23-21-16(9-6-11-22-21)20-19(15-8-5-7-14(2)13-15)24-18(27-20)10-12-26-3/h5-9,11,13H,4,10,12H2,1-3H3,(H,22,23,25)