2-(1H-benzimidazol-2-yl)-4-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1H-benzimidazol-2-yl)-4-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: 2-(1H-benzimidazol-2-yl)-4-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: 2-(1H-benzimidazol-2-yl)-4-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C26H26N6O2S MolecularWeight: 486.58864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)SCC(=O)C(C#N)C4=NC5=CC=CC=C5N4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)SCC(=O)C(C#N)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H26N6O2S/c1-34-23-14-8-5-11-18(23)25-30-31-26(32(25)17-9-3-2-4-10-17)35-16-22(33)19(15-27)24-28-20-12-6-7-13-21(20)29-24/h5-8,11-14,17,19H,2-4,9-10,16H2,1H3,(H,28,29)