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

Systemtic Name: S-(1H-1,2,4-triazol-5-yl) 2-phenylethanethioate Openeye Name: S-(1H-1,2,4-triazol-5-yl) 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-(1H-1,2,4-triazol-5-yl) ester IUPAC Name: S-(1H-1,2,4-triazol-5-yl) 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-(1H-1,2,4-triazol-5-yl) ester Formula: C10H9N3OS MolecularWeight: 219.26296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)SC2=NC=NN2

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)SC2=NC=NN2

InChI

InChI=1S/C10H9N3OS/c14-9(15-10-11-7-12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12,13)