2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl 4-phenylbenzoate

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl 4-phenylbenzoate Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanylethyl 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid 2-[(1-phenyl-5-tetrazolyl)thio]ethyl ester IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanylethyl 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid 2-[(1-phenyltetrazol-5-yl)thio]ethyl ester Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O2S/c27-21(19-13-11-18(12-14-19)17-7-3-1-4-8-17)28-15-16-29-22-23-24-25-26(22)20-9-5-2-6-10-20/h1-14H,15-16H2