ethyl 4-[[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoyl]amino]benzoate CAS Name: 4-[[oxo-[4-[[(1-phenyl-5-tetrazolyl)thio]methyl]phenyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoyl]amino]benzoate Traditional Name: 4-[[4-[[(1-phenyltetrazol-5-yl)thio]methyl]benzoyl]amino]benzoic acid ethyl ester Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C24H21N5O3S/c1-2-32-23(31)19-12-14-20(15-13-19)25-22(30)18-10-8-17(9-11-18)16-33-24-26-27-28-29(24)21-6-4-3-5-7-21/h3-15H,2,16H2,1H3,(H,25,30)