3-[4-cyclopropyl-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: 3-[4-cyclopropyl-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-cyclopropyl-3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-cyclopropyl-3-[(3-fluoro-4-methoxyphenyl)methylthio]-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-cyclopropyl-3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-cyclopropyl-3-[(3-fluoro-4-methoxy-benzyl)thio]-1H-1,2,4-triazol-5-ylidene]indole Formula: C21H19FN4OS MolecularWeight: 394.465163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)F

InChI

InChI=1S/C21H19FN4OS/c1-27-19-9-6-13(10-17(19)22)12-28-21-25-24-20(26(21)14-7-8-14)16-11-23-18-5-3-2-4-15(16)18/h2-6,9-11,14,24H,7-8,12H2,1H3