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

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(4-butyl-2-methylphenyl)-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(4-butyl-2-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)C

InChI

InChI=1S/C20H23N5OS/c1-3-4-8-16-11-12-18(15(2)13-16)21-19(26)14-27-20-22-23-24-25(20)17-9-6-5-7-10-17/h5-7,9-13H,3-4,8,14H2,1-2H3,(H,21,26)