N-(2,6-dimethylphenyl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide Openeye Name: N-(2,6-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)sulfanyl-butanamide CAS Name: N-(2,6-dimethylphenyl)-4-[(1-phenyl-5-tetrazolyl)thio]butanamide IUPAC Name: N-(2,6-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide Traditional Name: N-(2,6-dimethylphenyl)-4-[(1-phenyltetrazol-5-yl)thio]butyramide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C19H21N5OS/c1-14-8-6-9-15(2)18(14)20-17(25)12-7-13-26-19-21-22-23-24(19)16-10-4-3-5-11-16/h3-6,8-11H,7,12-13H2,1-2H3,(H,20,25)