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

Systemtic Name: 3-methyl-N-[4-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[2-[(1-phenyltetrazol-5-yl)thio]acetyl]phenyl]butyramide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C20H21N5O2S/c1-14(2)12-19(27)21-16-10-8-15(9-11-16)18(26)13-28-20-22-23-24-25(20)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,27)