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

Systemtic Name: N-(2,6-dimethylphenyl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]butanamide Openeye Name: N-(2,6-dimethylphenyl)-4-[(1-phenyltetrazol-5-yl)methylsulfanyl]butanamide CAS Name: N-(2,6-dimethylphenyl)-4-[(1-phenyl-5-tetrazolyl)methylthio]butanamide IUPAC Name: N-(2,6-dimethylphenyl)-4-[(1-phenyltetrazol-5-yl)methylsulfanyl]butanamide Traditional Name: N-(2,6-dimethylphenyl)-4-[(1-phenyltetrazol-5-yl)methylthio]butyramide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C20H23N5OS/c1-15-8-6-9-16(2)20(15)21-19(26)12-7-13-27-14-18-22-23-24-25(18)17-10-4-3-5-11-17/h3-6,8-11H,7,12-14H2,1-2H3,(H,21,26)