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

Systemtic Name: (2S)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Openeye Name: (2S)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: (2S)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: (2S)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Traditional Name: (2S)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NN1)S[C@@H](C)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-12(25-18-19-13(2)21-22-18)17(23)20-14-8-10-16(11-9-14)24-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,23)(H,19,21,22)/t12-/m0/s1