S-(5-methyl-1H-1,2,4-triazol-3-yl) 2-phenylethanethioate

Systemtic Name: S-(5-methyl-1H-1,2,4-triazol-3-yl) 2-phenylethanethioate Openeye Name: S-(5-methyl-1H-1,2,4-triazol-3-yl) 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-(5-methyl-1H-1,2,4-triazol-3-yl) ester IUPAC Name: S-(5-methyl-1H-1,2,4-triazol-3-yl) 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-(5-methyl-1H-1,2,4-triazol-3-yl) ester Formula: C11H11N3OS MolecularWeight: 233.28954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=NC(=NN1)SC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C11H11N3OS/c1-8-12-11(14-13-8)16-10(15)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13,14)