(2S)-N-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: (2S)-N-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: (2S)-N-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: (2S)-N-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: (2S)-N-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: (2S)-N-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)SC2=NC=NN2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC)SC2=NC=NN2

InChI

InChI=1S/C12H14N4O2S/c1-8(19-12-13-7-14-16-12)11(17)15-9-3-5-10(18-2)6-4-9/h3-8H,1-2H3,(H,15,17)(H,13,14,16)/t8-/m0/s1