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

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(3-chlorophenyl)methylthio]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(3-chlorobenzyl)thio]-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C19H21ClN4OS MolecularWeight: 388.91424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H21ClN4OS/c1-13(2)15-6-8-17(9-7-15)25-11-18-22-23-19(24(18)21)26-12-14-4-3-5-16(20)10-14/h3-10,13H,11-12,21H2,1-2H3