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

Systemtic Name: N3,N5-bis[(4-ethylphenyl)methyl]-1-ethylsulfonyl-1,2,4-triazole-3,5-diamine Openeye Name: N3,N5-bis[(4-ethylphenyl)methyl]-1-ethylsulfonyl-1,2,4-triazole-3,5-diamine CAS Name: N3,N5-bis[(4-ethylphenyl)methyl]-1-ethylsulfonyl-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N,5-N-bis[(4-ethylphenyl)methyl]-1-ethylsulfonyl-1,2,4-triazole-3,5-diamine Traditional Name: [1-esyl-5-[(4-ethylbenzyl)amino]-1,2,4-triazol-3-yl]-(4-ethylbenzyl)amine Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)CC)S(=O)(=O)CC

Isomeric SMILES

CCC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)CC)S(=O)(=O)CC

InChI

InChI=1S/C22H29N5O2S/c1-4-17-7-11-19(12-8-17)15-23-21-25-22(27(26-21)30(28,29)6-3)24-16-20-13-9-18(5-2)10-14-20/h7-14H,4-6,15-16H2,1-3H3,(H2,23,24,25,26)