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

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

CC1=NN(C(=O)N1CC2CC2)C3=CC=C(C=C3)SC4=CC=CC(=C4)C5(CCOCC5)C#N

Isomeric SMILES

CC1=NN(C(=O)N1CC2CC2)C3=CC=C(C=C3)SC4=CC=CC(=C4)C5(CCOCC5)C#N

InChI

InChI=1S/C25H26N4O2S/c1-18-27-29(24(30)28(18)16-19-5-6-19)21-7-9-22(10-8-21)32-23-4-2-3-20(15-23)25(17-26)11-13-31-14-12-25/h2-4,7-10,15,19H,5-6,11-14,16H2,1H3