3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)N

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)N

InChI

InChI=1S/C12H14N4OS/c1-9-14-15-12(18-8-7-11(13)17)16(9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,17)