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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropylpropanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylpropanamide Traditional Name: 2-[[4-amino-5-(2-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=C3Br

Isomeric SMILES

CC(C(=O)NC1CC1)SC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

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