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

Systemtic Name: (2S)-N-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)propanamide CAS Name: (2S)-N-(4-ethoxyphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(4-ethoxyphenyl)-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-p-phenetyl-propionamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2S/c1-4-15-26-20(17-9-7-6-8-10-17)24-25-22(26)29-16(3)21(27)23-18-11-13-19(14-12-18)28-5-2/h4,6-14,16H,1,5,15H2,2-3H3,(H,23,27)/t16-/m0/s1