N-(2-azanyl-5-chloranyl-phenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: N-(2-azanyl-5-chloranyl-phenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: N-(2-amino-5-chloro-phenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: N-(2-amino-5-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: N-(2-amino-5-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: N-(2-amino-5-chloro-phenyl)-3-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C11H12ClN5OS MolecularWeight: 297.76388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=O)CCSC2=NC=NN2)N

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=O)CCSC2=NC=NN2)N

InChI

InChI=1S/C11H12ClN5OS/c12-7-1-2-8(13)9(5-7)16-10(18)3-4-19-11-14-6-15-17-11/h1-2,5-6H,3-4,13H2,(H,16,18)(H,14,15,17)