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

Systemtic Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-butanamide Openeye Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-butanamide CAS Name: N-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide IUPAC Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide Traditional Name: N-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-methyl-butyramide Formula: C14H16ClN3OS2 MolecularWeight: 341.87934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN3OS2/c1-9(2)7-12(19)16-13-17-18-14(21-13)20-8-10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,17,19)