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

Systemtic Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC#N

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC#N

InChI

InChI=1S/C18H16N4O2S/c1-23-15-7-9-16(10-8-15)24-13-17-20-21-18(25-12-11-19)22(17)14-5-3-2-4-6-14/h2-10H,12-13H2,1H3