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

Systemtic Name: 2-[4-(4-phenylmethoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]ethanamine Openeye Name: 2-[5-allylsulfanyl-4-(4-benzyloxyphenyl)-1,2,4-triazol-3-yl]ethanamine CAS Name: 2-[4-(4-phenylmethoxyphenyl)-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-[4-(4-phenylmethoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]ethanamine Traditional Name: 2-[5-(allylthio)-4-(4-benzoxyphenyl)-1,2,4-triazol-3-yl]ethylamine Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS/c1-2-14-26-20-23-22-19(12-13-21)24(20)17-8-10-18(11-9-17)25-15-16-6-4-3-5-7-16/h2-11H,1,12-15,21H2