3-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-methoxyphenyl)methyl]-5-[2-(4-pyridyl)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-p-anisyl-5-[2-(4-pyridyl)ethylthio]-1,2,4-triazol-4-yl]amine Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCCC3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCCC3=CC=NC=C3

InChI

InChI=1S/C17H19N5OS/c1-23-15-4-2-14(3-5-15)12-16-20-21-17(22(16)18)24-11-8-13-6-9-19-10-7-13/h2-7,9-10H,8,11-12,18H2,1H3