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

Systemtic Name: 4-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)C1=NC(=NN1)SCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H16N4OS/c1-10(2)13-16-14(18-17-13)20-8-7-19-12-5-3-11(9-15)4-6-12/h3-6,10H,7-8H2,1-2H3,(H,16,17,18)