N-(3-aminophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide

Systemtic Name: N-(3-aminophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Openeye Name: N-(3-aminophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide CAS Name: N-(3-aminophenyl)-4-(1H-1,2,4-triazol-5-ylthio)butanamide IUPAC Name: N-(3-aminophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Traditional Name: N-(3-aminophenyl)-4-(1H-1,2,4-triazol-5-ylthio)butyramide Formula: C12H15N5OS MolecularWeight: 277.3454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCSC2=NC=NN2)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCSC2=NC=NN2)N

InChI

InChI=1S/C12H15N5OS/c13-9-3-1-4-10(7-9)16-11(18)5-2-6-19-12-14-8-15-17-12/h1,3-4,7-8H,2,5-6,13H2,(H,16,18)(H,14,15,17)