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

Systemtic Name: (2R)-2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-propanamide Openeye Name: (2R)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-propanamide CAS Name: (2R)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-tert-butylpropanamide IUPAC Name: (2R)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylpropanamide Traditional Name: (2R)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-propionamide Formula: C19H29N5OS MolecularWeight: 375.53146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1N)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)SC1=NN=C(N1N)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C19H29N5OS/c1-12(16(25)21-19(5,6)7)26-17-23-22-15(24(17)20)13-8-10-14(11-9-13)18(2,3)4/h8-12H,20H2,1-7H3,(H,21,25)/t12-/m1/s1