S-(1-phenyl-1,2,3,4-tetrazol-5-yl) 2-phenylethanethioate

Systemtic Name: S-(1-phenyl-1,2,3,4-tetrazol-5-yl) 2-phenylethanethioate Openeye Name: S-(1-phenyltetrazol-5-yl) 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-(1-phenyl-5-tetrazolyl) ester IUPAC Name: S-(1-phenyltetrazol-5-yl) 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-(1-phenyltetrazol-5-yl) ester Formula: C15H12N4OS MolecularWeight: 296.34698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C15H12N4OS/c20-14(11-12-7-3-1-4-8-12)21-15-16-17-18-19(15)13-9-5-2-6-10-13/h1-10H,11H2