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

Systemtic Name: (2R)-2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-propanamide Openeye Name: (2R)-N-allyl-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-enylpropanamide IUPAC Name: (2R)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylpropanamide Traditional Name: (2R)-N-allyl-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5OS/c1-6-11-20-16(24)12(2)25-17-22-21-15(23(17)19)13-7-9-14(10-8-13)18(3,4)5/h6-10,12H,1,11,19H2,2-5H3,(H,20,24)/t12-/m1/s1