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

Systemtic Name: 4-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H16N4OS/c1-14-20-21-18(22(14)16-5-3-2-4-6-16)24-12-11-23-17-9-7-15(13-19)8-10-17/h2-10H,11-12H2,1H3