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

Systemtic Name: 4-[3-[4-(4-cyclopentyl-5-oxidanylidene-1,2,4-triazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile Openeye Name: 4-[3-[4-(4-cyclopentyl-5-oxo-1,2,4-triazol-1-yl)phenyl]sulfanylphenyl]tetrahydropyran-4-carbonitrile CAS Name: 4-[3-[[4-(4-cyclopentyl-5-oxo-1,2,4-triazol-1-yl)phenyl]thio]phenyl]-4-oxanecarbonitrile IUPAC Name: 4-[3-[4-(4-cyclopentyl-5-oxo-1,2,4-triazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile Traditional Name: 4-[3-[[4-(4-cyclopentyl-5-keto-1,2,4-triazol-1-yl)phenyl]thio]phenyl]tetrahydropyran-4-carbonitrile Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NN(C2=O)C3=CC=C(C=C3)SC4=CC=CC(=C4)C5(CCOCC5)C#N

Isomeric SMILES

C1CCC(C1)N2C=NN(C2=O)C3=CC=C(C=C3)SC4=CC=CC(=C4)C5(CCOCC5)C#N

InChI

InChI=1S/C25H26N4O2S/c26-17-25(12-14-31-15-13-25)19-4-3-7-23(16-19)32-22-10-8-21(9-11-22)29-24(30)28(18-27-29)20-5-1-2-6-20/h3-4,7-11,16,18,20H,1-2,5-6,12-15H2