S-(4-methylphenyl) 2-[5-(4-tert-butylphenyl)-1,2,3,4-tetrazol-2-yl]ethanethioate

Systemtic Name: S-(4-methylphenyl) 2-[5-(4-tert-butylphenyl)-1,2,3,4-tetrazol-2-yl]ethanethioate Openeye Name: S-(p-tolyl) 2-[5-(4-tert-butylphenyl)tetrazol-2-yl]ethanethioate CAS Name: 2-[5-(4-tert-butylphenyl)-2-tetrazolyl]ethanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 2-[5-(4-tert-butylphenyl)tetrazol-2-yl]ethanethioate Traditional Name: 2-[5-(4-tert-butylphenyl)tetrazol-2-yl]ethanethioic acid S-(p-tolyl) ester Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H22N4OS/c1-14-5-11-17(12-6-14)26-18(25)13-24-22-19(21-23-24)15-7-9-16(10-8-15)20(2,3)4/h5-12H,13H2,1-4H3