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

Systemtic Name: 3-[3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[3-[(2-chloro-4-fluorophenyl)methylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[3-[(2-chloro-4-fluoro-benzyl)thio]-4-cyclopropyl-1H-1,2,4-triazol-5-ylidene]indole Formula: C20H16ClFN4S MolecularWeight: 398.884243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC5=C(C=C(C=C5)F)Cl

Isomeric SMILES

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC5=C(C=C(C=C5)F)Cl

InChI

InChI=1S/C20H16ClFN4S/c21-17-9-13(22)6-5-12(17)11-27-20-25-24-19(26(20)14-7-8-14)16-10-23-18-4-2-1-3-15(16)18/h1-6,9-10,14,24H,7-8,11H2