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

Systemtic Name: N3,N5-bis[(4-ethylphenyl)methyl]-1-methylsulfonyl-1,2,4-triazole-3,5-diamine Openeye Name: N3,N5-bis[(4-ethylphenyl)methyl]-1-methylsulfonyl-1,2,4-triazole-3,5-diamine CAS Name: N3,N5-bis[(4-ethylphenyl)methyl]-1-methylsulfonyl-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N,5-N-bis[(4-ethylphenyl)methyl]-1-methylsulfonyl-1,2,4-triazole-3,5-diamine Traditional Name: (4-ethylbenzyl)-[5-[(4-ethylbenzyl)amino]-1-mesyl-1,2,4-triazol-3-yl]amine Formula: C21H27N5O2S MolecularWeight: 413.53638

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2S/c1-4-16-6-10-18(11-7-16)14-22-20-24-21(26(25-20)29(3,27)28)23-15-19-12-8-17(5-2)9-13-19/h6-13H,4-5,14-15H2,1-3H3,(H2,22,23,24,25)