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

Systemtic Name: (2S)-N-phenethyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-propanamide CAS Name: (2S)-N-phenethyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-phenethyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-phenethyl-propionamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4OS/c1-3-16-26-20(19-12-8-5-9-13-19)24-25-22(26)28-17(2)21(27)23-15-14-18-10-6-4-7-11-18/h3-13,17H,1,14-16H2,2H3,(H,23,27)/t17-/m0/s1