4-[2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)C#N

InChI

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