1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[3,5-bis[(4-ethylbenzyl)amino]-1,2,4-triazol-1-yl]ethanone Formula: C22H27N5O MolecularWeight: 377.48268

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O/c1-4-17-6-10-19(11-7-17)14-23-21-25-22(27(26-21)16(3)28)24-15-20-12-8-18(5-2)9-13-20/h6-13H,4-5,14-15H2,1-3H3,(H2,23,24,25,26)