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

Systemtic Name: 4-[3-[4-(4-cyclopropyl-5-oxidanylidene-1,2,4-triazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile Openeye Name: 4-[3-[4-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)phenyl]sulfanylphenyl]tetrahydropyran-4-carbonitrile CAS Name: 4-[3-[[4-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)phenyl]thio]phenyl]-4-oxanecarbonitrile IUPAC Name: 4-[3-[4-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile Traditional Name: 4-[3-[[4-(4-cyclopropyl-5-keto-1,2,4-triazol-1-yl)phenyl]thio]phenyl]tetrahydropyran-4-carbonitrile Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN(C2=O)C3=CC=C(C=C3)SC4=CC=CC(=C4)C5(CCOCC5)C#N

Isomeric SMILES

C1CC1N2C=NN(C2=O)C3=CC=C(C=C3)SC4=CC=CC(=C4)C5(CCOCC5)C#N

InChI

InChI=1S/C23H22N4O2S/c24-15-23(10-12-29-13-11-23)17-2-1-3-21(14-17)30-20-8-6-19(7-9-20)27-22(28)26(16-25-27)18-4-5-18/h1-3,6-9,14,16,18H,4-5,10-13H2