2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C#N)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H18N4O2S/c1-14(12-20)26-19-22-21-18(23(19)15-6-4-3-5-7-15)13-25-17-10-8-16(24-2)9-11-17/h3-11,14H,13H2,1-2H3