3-[(3,5-dimethylphenoxy)methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3,5-dimethylphenoxy)methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-benzylsulfanyl-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(3,5-dimethylphenoxy)methyl]-5-(phenylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-benzylsulfanyl-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-(benzylthio)-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=NN=C(N2N)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=NN=C(N2N)SCC3=CC=CC=C3)C

InChI

InChI=1S/C18H20N4OS/c1-13-8-14(2)10-16(9-13)23-11-17-20-21-18(22(17)19)24-12-15-6-4-3-5-7-15/h3-10H,11-12,19H2,1-2H3