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

Systemtic Name: N-aminocarbonyl-2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoylpropanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylpropanamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-propionamide Formula: C12H13BrN6O2S MolecularWeight: 385.23962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NN=C(N1N)C2=CC=CC=C2Br

Isomeric SMILES

CC(C(=O)NC(=O)N)SC1=NN=C(N1N)C2=CC=CC=C2Br

InChI

InChI=1S/C12H13BrN6O2S/c1-6(10(20)16-11(14)21)22-12-18-17-9(19(12)15)7-4-2-3-5-8(7)13/h2-6H,15H2,1H3,(H3,14,16,20,21)