(2R)-2-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide

Systemtic Name: (2R)-2-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide Openeye Name: (2R)-2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide CAS Name: (2R)-2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenylpropanamide IUPAC Name: (2R)-2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide Traditional Name: (2R)-2-[(4-amino-5-p-phenetyl-1,2,4-triazol-3-yl)thio]-N-methyl-N-phenyl-propionamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SC(C)C(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)S[C@H](C)C(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C20H23N5O2S/c1-4-27-17-12-10-15(11-13-17)18-22-23-20(25(18)21)28-14(2)19(26)24(3)16-8-6-5-7-9-16/h5-14H,4,21H2,1-3H3/t14-/m1/s1