1-(1-cyclohexyl-3-ethyl-indazol-6-yl)-4-(1,3-dithian-2-ylidene)cyclohexane-1-carbonitrile

Systemtic Name: 1-(1-cyclohexyl-3-ethyl-indazol-6-yl)-4-(1,3-dithian-2-ylidene)cyclohexane-1-carbonitrile Openeye Name: 1-(1-cyclohexyl-3-ethyl-indazol-6-yl)-4-(1,3-dithian-2-ylidene)cyclohexanecarbonitrile CAS Name: 1-(1-cyclohexyl-3-ethyl-6-indazolyl)-4-(1,3-dithian-2-ylidene)-1-cyclohexanecarbonitrile IUPAC Name: 1-(1-cyclohexyl-3-ethylindazol-6-yl)-4-(1,3-dithian-2-ylidene)cyclohexane-1-carbonitrile Traditional Name: 1-(1-cyclohexyl-3-ethyl-indazol-6-yl)-4-(1,3-dithian-2-ylidene)cyclohexanecarbonitrile Formula: C26H33N3S2 MolecularWeight: 451.69032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C=CC(=C2)C3(CCC(=C4SCCCS4)CC3)C#N)C5CCCCC5

Isomeric SMILES

CCC1=NN(C2=C1C=CC(=C2)C3(CCC(=C4SCCCS4)CC3)C#N)C5CCCCC5

InChI

InChI=1S/C26H33N3S2/c1-2-23-22-10-9-20(17-24(22)29(28-23)21-7-4-3-5-8-21)26(18-27)13-11-19(12-14-26)25-30-15-6-16-31-25/h9-10,17,21H,2-8,11-16H2,1H3