4-[3-[4-(4-butyl-5-oxidanylidene-1,2,4-triazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile

Systemtic Name: 4-[3-[4-(4-butyl-5-oxidanylidene-1,2,4-triazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile Openeye Name: 4-[3-[4-(4-butyl-5-oxo-1,2,4-triazol-1-yl)phenyl]sulfanylphenyl]tetrahydropyran-4-carbonitrile CAS Name: 4-[3-[[4-(4-butyl-5-oxo-1,2,4-triazol-1-yl)phenyl]thio]phenyl]-4-oxanecarbonitrile IUPAC Name: 4-[3-[4-(4-butyl-5-oxo-1,2,4-triazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile Traditional Name: 4-[3-[[4-(4-butyl-5-keto-1,2,4-triazol-1-yl)phenyl]thio]phenyl]tetrahydropyran-4-carbonitrile Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NN(C1=O)C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C#N

Isomeric SMILES

CCCCN1C=NN(C1=O)C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C#N

InChI

InChI=1S/C24H26N4O2S/c1-2-3-13-27-18-26-28(23(27)29)20-7-9-21(10-8-20)31-22-6-4-5-19(16-22)24(17-25)11-14-30-15-12-24/h4-10,16,18H,2-3,11-15H2,1H3