3-[(4-propan-2-ylphenoxy)methyl]-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-propan-2-ylphenoxy)methyl]-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-isopropylphenoxy)methyl]-5-(8-quinolylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-propan-2-ylphenoxy)methyl]-5-(8-quinolinylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-propan-2-ylphenoxy)methyl]-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-isopropylphenoxy)methyl]-5-(8-quinolylmethylthio)-1,2,4-triazol-4-yl]amine Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H23N5OS/c1-15(2)16-8-10-19(11-9-16)28-13-20-25-26-22(27(20)23)29-14-18-6-3-5-17-7-4-12-24-21(17)18/h3-12,15H,13-14,23H2,1-2H3