3-[4-cyclopropyl-3-[2-(4-fluoranylphenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: 3-[4-cyclopropyl-3-[2-(4-fluoranylphenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-cyclopropyl-3-[2-(4-fluorophenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-cyclopropyl-3-[2-(4-fluorophenoxy)ethylthio]-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-cyclopropyl-3-[2-(4-fluorophenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-cyclopropyl-3-[2-(4-fluorophenoxy)ethylthio]-1H-1,2,4-triazol-5-ylidene]indole Formula: C21H19FN4OS MolecularWeight: 394.465163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCOC5=CC=C(C=C5)F

Isomeric SMILES

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCOC5=CC=C(C=C5)F

InChI

InChI=1S/C21H19FN4OS/c22-14-5-9-16(10-6-14)27-11-12-28-21-25-24-20(26(21)15-7-8-15)18-13-23-19-4-2-1-3-17(18)19/h1-6,9-10,13,15,24H,7-8,11-12H2