2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]-5-fluoranyl-aniline

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]-5-fluoranyl-aniline Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]-5-fluoro-aniline CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylthio]-5-fluoroaniline IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]-5-fluoroaniline Traditional Name: [2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylthio]-5-fluoro-phenyl]amine Formula: C11H13FN4S MolecularWeight: 252.311123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)CSC2=C(C=C(C=C2)F)N

Isomeric SMILES

CC1=NN=C(N1C)CSC2=C(C=C(C=C2)F)N

InChI

InChI=1S/C11H13FN4S/c1-7-14-15-11(16(7)2)6-17-10-4-3-8(12)5-9(10)13/h3-5H,6,13H2,1-2H3