3-methyl-N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]butanamide

Systemtic Name: 3-methyl-N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: 3-methyl-N-[5-[2-(p-tolylsulfonyl)ethyl]-1,3,4-thiadiazol-2-yl]butanamide CAS Name: 3-methyl-N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 3-methyl-N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]butanamide Traditional Name: 3-methyl-N-[5-(2-tosylethyl)-1,3,4-thiadiazol-2-yl]butyramide Formula: C16H21N3O3S2 MolecularWeight: 367.48624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)CC(C)C

InChI

InChI=1S/C16H21N3O3S2/c1-11(2)10-14(20)17-16-19-18-15(23-16)8-9-24(21,22)13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,17,19,20)