N-(2,4-dimethylphenyl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzamide Openeye Name: N-(2,4-dimethylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide CAS Name: N-(2,4-dimethylphenyl)-4-[[(1-phenyl-5-tetrazolyl)thio]methyl]benzamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide Traditional Name: N-(2,4-dimethylphenyl)-4-[[(1-phenyltetrazol-5-yl)thio]methyl]benzamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C23H21N5OS/c1-16-8-13-21(17(2)14-16)24-22(29)19-11-9-18(10-12-19)15-30-23-25-26-27-28(23)20-6-4-3-5-7-20/h3-14H,15H2,1-2H3,(H,24,29)