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

Systemtic Name: 4-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCN1C(=O)NN=C1SCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H16N4O2S/c1-2-7-18-13(19)16-17-14(18)21-9-8-20-12-5-3-11(10-15)4-6-12/h3-6H,2,7-9H2,1H3,(H,16,19)