4-azanyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butanamide

Systemtic Name: 4-azanyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butanamide Openeye Name: 4-amino-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butanamide CAS Name: 4-amino-N-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]butanamide IUPAC Name: 4-amino-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butanamide Traditional Name: 4-amino-N-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]butyramide Formula: C12H15N5OS MolecularWeight: 277.3454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCCN)SC2=NC=NN2

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCCN)SC2=NC=NN2

InChI

InChI=1S/C12H15N5OS/c13-7-1-2-11(18)16-9-3-5-10(6-4-9)19-12-14-8-15-17-12/h3-6,8H,1-2,7,13H2,(H,16,18)(H,14,15,17)