3-[(2-chloranylquinolin-3-yl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-chloranylquinolin-3-yl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-3-quinolyl)methylsulfanyl]-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-3-quinolinyl)methylthio]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloroquinolin-3-yl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-3-quinolyl)methylthio]-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C22H22ClN5OS MolecularWeight: 439.96098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C22H22ClN5OS/c1-14(2)15-7-9-18(10-8-15)29-12-20-26-27-22(28(20)24)30-13-17-11-16-5-3-4-6-19(16)25-21(17)23/h3-11,14H,12-13,24H2,1-2H3