N3,N5-bis[(4-propan-2-ylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine

Systemtic Name: N3,N5-bis[(4-propan-2-ylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine Openeye Name: N3,N5-bis[(4-isopropylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine CAS Name: N3,N5-bis[(4-propan-2-ylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N,5-N-bis[(4-propan-2-ylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine Traditional Name: (4-isopropylbenzyl)-[3-[(4-isopropylbenzyl)amino]-1H-1,2,4-triazol-5-yl]amine Formula: C22H29N5 MolecularWeight: 363.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CNC2=NC(=NN2)NCC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CNC2=NC(=NN2)NCC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H29N5/c1-15(2)19-9-5-17(6-10-19)13-23-21-25-22(27-26-21)24-14-18-7-11-20(12-8-18)16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H3,23,24,25,26,27)