(2S)-N-(2-methoxy-5-methyl-phenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H18N4O2S2 MolecularWeight: 374.48042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)SC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)SC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C17H18N4O2S2/c1-10-6-7-13(23-3)12(9-10)18-16(22)11(2)25-17-19-15(20-21-17)14-5-4-8-24-14/h4-9,11H,1-3H3,(H,18,22)(H,19,20,21)/t11-/m0/s1