N-butyl-5-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-butyl-5-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-butyl-5-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-butyl-5-[(5-chloro-2-methoxyphenyl)methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-butyl-5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: butyl-[5-[(5-chloro-2-methoxy-benzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C14H18ClN3OS2 MolecularWeight: 343.89522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C14H18ClN3OS2/c1-3-4-7-16-13-17-18-14(21-13)20-9-10-8-11(15)5-6-12(10)19-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,17)