3-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 3-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C12H15N5OS MolecularWeight: 277.3454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCCC(=O)N

InChI

InChI=1S/C12H15N5OS/c1-8-2-4-9(5-3-8)11-15-16-12(17(11)14)19-7-6-10(13)18/h2-5H,6-7,14H2,1H3,(H2,13,18)