(2R)-2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide

Systemtic Name: (2R)-2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Openeye Name: (2R)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: (2R)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: (2R)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Traditional Name: (2R)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NN=C(N3N)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NN=C(N3N)C(C)(C)C

InChI

InChI=1S/C21H25N5O2S/c1-14(29-20-25-24-19(26(20)22)21(2,3)4)18(27)23-15-10-12-17(13-11-15)28-16-8-6-5-7-9-16/h5-14H,22H2,1-4H3,(H,23,27)/t14-/m1/s1