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

Systemtic Name: (2R)-2-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide Openeye Name: (2R)-2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide CAS Name: (2R)-2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylpropanamide Traditional Name: (2R)-2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-propionamide Formula: C14H16BrN5OS MolecularWeight: 382.27874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=NN=C(N2N)C3=CC(=CC=C3)Br

Isomeric SMILES

C[C@H](C(=O)NC1CC1)SC2=NN=C(N2N)C3=CC(=CC=C3)Br

InChI

InChI=1S/C14H16BrN5OS/c1-8(13(21)17-11-5-6-11)22-14-19-18-12(20(14)16)9-3-2-4-10(15)7-9/h2-4,7-8,11H,5-6,16H2,1H3,(H,17,21)/t8-/m1/s1