N3,N5-bis[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,2,4-triazole-3,5-diamine

Systemtic Name: N3,N5-bis[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,2,4-triazole-3,5-diamine Openeye Name: N3,N5-bis[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,2,4-triazole-3,5-diamine CAS Name: N3,N5-bis[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N,5-N-bis[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,2,4-triazole-3,5-diamine Traditional Name: (4-fluorobenzyl)-[5-[(4-fluorobenzyl)amino]-1-mesyl-1,2,4-triazol-3-yl]amine Formula: C17H17F2N5O2S MolecularWeight: 393.410986

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)F)NCC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)F)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H17F2N5O2S/c1-27(25,26)24-17(21-11-13-4-8-15(19)9-5-13)22-16(23-24)20-10-12-2-6-14(18)7-3-12/h2-9H,10-11H2,1H3,(H2,20,21,22,23)