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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SCC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C20H23N5OS/c1-20(2,3)13-19(26)21-15-9-11-17(12-10-15)27-14-18-22-23-24-25(18)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,21,26)