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

Systemtic Name: 3-methyl-N-[4-[2-[[1-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[2-[1-(m-tolyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[2-[[1-(3-methylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[2-[[1-(m-tolyl)tetrazol-5-yl]thio]acetyl]phenyl]butyramide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=N2)SCC(=O)C3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=N2)SCC(=O)C3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C21H23N5O2S/c1-14(2)11-20(28)22-17-9-7-16(8-10-17)19(27)13-29-21-23-24-25-26(21)18-6-4-5-15(3)12-18/h4-10,12,14H,11,13H2,1-3H3,(H,22,28)