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

Systemtic Name: 4-[3-[4-(5-oxidanylidene-4-propyl-1,2,4-triazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile Openeye Name: 4-[3-[4-(5-oxo-4-propyl-1,2,4-triazol-1-yl)phenyl]sulfanylphenyl]tetrahydropyran-4-carbonitrile CAS Name: 4-[3-[[4-(5-oxo-4-propyl-1,2,4-triazol-1-yl)phenyl]thio]phenyl]-4-oxanecarbonitrile IUPAC Name: 4-[3-[4-(5-oxo-4-propyl-1,2,4-triazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile Traditional Name: 4-[3-[[4-(5-keto-4-propyl-1,2,4-triazol-1-yl)phenyl]thio]phenyl]tetrahydropyran-4-carbonitrile Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NN(C1=O)C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C#N

Isomeric SMILES

CCCN1C=NN(C1=O)C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C#N

InChI

InChI=1S/C23H24N4O2S/c1-2-12-26-17-25-27(22(26)28)19-6-8-20(9-7-19)30-21-5-3-4-18(15-21)23(16-24)10-13-29-14-11-23/h3-9,15,17H,2,10-14H2,1H3