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

Systemtic Name: 5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-benzyl-5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-fluoro-4-methoxyphenyl)methylthio]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: N-benzyl-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: benzyl-[5-[(3-fluoro-4-methoxy-benzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H16FN3OS2 MolecularWeight: 361.456843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(S2)NCC3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(S2)NCC3=CC=CC=C3)F

InChI

InChI=1S/C17H16FN3OS2/c1-22-15-8-7-13(9-14(15)18)11-23-17-21-20-16(24-17)19-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,19,20)