N-[(2-chloranyl-6-methyl-phenyl)methyl]-4-(5-ethyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)aniline

Systemtic Name: N-[(2-chloranyl-6-methyl-phenyl)methyl]-4-(5-ethyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)aniline Openeye Name: N-[(2-chloro-6-methyl-phenyl)methyl]-4-[5-ethyl-3-(3-pyridyl)-1,2,4-triazol-1-yl]aniline CAS Name: N-[(2-chloro-6-methylphenyl)methyl]-4-[5-ethyl-3-(3-pyridinyl)-1,2,4-triazol-1-yl]aniline IUPAC Name: N-[(2-chloro-6-methylphenyl)methyl]-4-(5-ethyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)aniline Traditional Name: (2-chloro-6-methyl-benzyl)-[4-[5-ethyl-3-(3-pyridyl)-1,2,4-triazol-1-yl]phenyl]amine Formula: C23H22ClN5 MolecularWeight: 403.90728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1C2=CC=C(C=C2)NCC3=C(C=CC=C3Cl)C)C4=CN=CC=C4

Isomeric SMILES

CCC1=NC(=NN1C2=CC=C(C=C2)NCC3=C(C=CC=C3Cl)C)C4=CN=CC=C4

InChI

InChI=1S/C23H22ClN5/c1-3-22-27-23(17-7-5-13-25-14-17)28-29(22)19-11-9-18(10-12-19)26-15-20-16(2)6-4-8-21(20)24/h4-14,26H,3,15H2,1-2H3