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

Systemtic Name: 4-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCN1C(=O)NN=C1SCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H18N4O2S/c1-2-3-8-19-14(20)17-18-15(19)22-10-9-21-13-6-4-12(11-16)5-7-13/h4-7H,2-3,8-10H2,1H3,(H,17,20)