(2S)-2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-propanamide

Systemtic Name: (2S)-2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-propanamide Openeye Name: (2S)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-propanamide CAS Name: (2S)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-N-phenylpropanamide IUPAC Name: (2S)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenylpropanamide Traditional Name: (2S)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-N-phenyl-propionamide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)SC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)SC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H29N5OS/c1-6-27(19-10-8-7-9-11-19)21(29)16(2)30-22-26-25-20(28(22)24)17-12-14-18(15-13-17)23(3,4)5/h7-16H,6,24H2,1-5H3/t16-/m0/s1