3-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: 3-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 3-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: 3-[(1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: 3-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 3-[(1-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C11H12N4OS MolecularWeight: 248.30418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)SCCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCCC(=O)N

InChI

InChI=1S/C11H12N4OS/c12-10(16)6-7-17-11-13-8-15(14-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,12,16)