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

Systemtic Name: (2R)-2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyanophenyl)propanamide Openeye Name: (2R)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyanophenyl)propanamide CAS Name: (2R)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(3-cyanophenyl)propanamide IUPAC Name: (2R)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyanophenyl)propanamide Traditional Name: (2R)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(3-cyanophenyl)propionamide Formula: C16H20N6OS MolecularWeight: 344.4346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NN=C(N2N)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)SC2=NN=C(N2N)C(C)(C)C

InChI

InChI=1S/C16H20N6OS/c1-10(13(23)19-12-7-5-6-11(8-12)9-17)24-15-21-20-14(22(15)18)16(2,3)4/h5-8,10H,18H2,1-4H3,(H,19,23)/t10-/m1/s1