2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-(4-bromophenyl)propyl]ethanamide

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-(4-bromophenyl)propyl]ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-(4-bromophenyl)propyl]acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(1R)-1-(4-bromophenyl)propyl]acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-(4-bromophenyl)propyl]acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(1R)-1-(4-bromophenyl)propyl]acetamide Formula: C16H20BrN5OS MolecularWeight: 410.3319

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(=O)CSC2=NN=C(N2N)C3CC3

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)Br)NC(=O)CSC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C16H20BrN5OS/c1-2-13(10-5-7-12(17)8-6-10)19-14(23)9-24-16-21-20-15(22(16)18)11-3-4-11/h5-8,11,13H,2-4,9,18H2,1H3,(H,19,23)/t13-/m1/s1