4-(4-chloranyl-2-methyl-phenoxy)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]butanamide

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: 4-(4-chloro-2-methyl-phenoxy)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]butanamide CAS Name: 4-(4-chloro-2-methylphenoxy)-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 4-(4-chloro-2-methylphenoxy)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]butanamide Traditional Name: 4-(4-chloro-2-methyl-phenoxy)-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]butyramide Formula: C20H20ClN3O2S2 MolecularWeight: 433.9747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=NN=C(S2)CSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=NN=C(S2)CSC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3O2S2/c1-14-12-15(21)9-10-17(14)26-11-5-8-18(25)22-20-24-23-19(28-20)13-27-16-6-3-2-4-7-16/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,22,24,25)