2-[5-ethylsulfanyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine

Systemtic Name: 2-[5-ethylsulfanyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine Openeye Name: 2-[4-(4-benzyloxyphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]ethanamine CAS Name: 2-[5-(ethylthio)-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-[5-ethylsulfanyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine Traditional Name: 2-[4-(4-benzoxyphenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]ethylamine Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)CCN

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)CCN

InChI

InChI=1S/C19H22N4OS/c1-2-25-19-22-21-18(12-13-20)23(19)16-8-10-17(11-9-16)24-14-15-6-4-3-5-7-15/h3-11H,2,12-14,20H2,1H3