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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NN=CN1C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)N)SC1=NN=CN1C2=CC=CC=C2

InChI

InChI=1S/C11H12N4OS/c1-8(10(12)16)17-11-14-13-7-15(11)9-5-3-2-4-6-9/h2-8H,1H3,(H2,12,16)