(3S)-3-(4-methoxyphenyl)-N-phenethyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (3S)-3-(4-methoxyphenyl)-N-phenethyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (3S)-3-(4-methoxyphenyl)-N-phenethyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (3S)-3-(4-methoxyphenyl)-N-phenethyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (3S)-3-(4-methoxyphenyl)-N-phenethyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (3S)-3-(4-methoxyphenyl)-N-phenethyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)NCCC2=CC=CC=C2)SC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC(=O)NCCC2=CC=CC=C2)SC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-32-22-14-12-20(13-15-22)23(18-24(31)27-17-16-19-8-4-2-5-9-19)33-26-28-25(29-30-26)21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3,(H,27,31)(H,28,29,30)/t23-/m0/s1