2-[4-[[4-azanyl-5-(2-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-azanyl-5-(2-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-amino-5-(2-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[4-amino-5-(2-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-amino-5-(2-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(4-amino-5-o-phenetyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile Formula: C24H21N5OS MolecularWeight: 427.52144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H21N5OS/c1-2-30-22-10-6-5-9-21(22)23-27-28-24(29(23)26)31-16-17-11-13-18(14-12-17)20-8-4-3-7-19(20)15-25/h3-14H,2,16,26H2,1H3