N-(3,5-ditert-butylphenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,5-ditert-butylphenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(3,5-ditert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(3,5-ditert-butylphenyl)-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(3,5-ditert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(3,5-ditert-butylphenyl)-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C23H29N5OS/c1-22(2,3)16-12-17(23(4,5)6)14-18(13-16)24-20(29)15-30-21-25-26-27-28(21)19-10-8-7-9-11-19/h7-14H,15H2,1-6H3,(H,24,29)