3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCCC#N

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCCC#N

InChI

InChI=1S/C20H20N4OS/c1-25-18-11-6-5-10-17(18)19-22-23-20(26-15-7-13-21)24(19)14-12-16-8-3-2-4-9-16/h2-6,8-11H,7,12,14-15H2,1H3