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

Systemtic Name: 3-azanyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide Openeye Name: 3-amino-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide CAS Name: 3-amino-N-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]propanamide IUPAC Name: 3-amino-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide Traditional Name: 3-amino-N-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]propionamide Formula: C11H13N5OS MolecularWeight: 263.31882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N5OS/c12-6-5-10(17)15-8-1-3-9(4-2-8)18-11-13-7-14-16-11/h1-4,7H,5-6,12H2,(H,15,17)(H,13,14,16)