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

Systemtic Name: 1-(1-cyclopentyl-3-ethyl-indazol-6-yl)-4-(1,3-dithian-2-ylidene)cyclohexane-1-carbonitrile Openeye Name: 1-(1-cyclopentyl-3-ethyl-indazol-6-yl)-4-(1,3-dithian-2-ylidene)cyclohexanecarbonitrile CAS Name: 1-(1-cyclopentyl-3-ethyl-6-indazolyl)-4-(1,3-dithian-2-ylidene)-1-cyclohexanecarbonitrile IUPAC Name: 1-(1-cyclopentyl-3-ethylindazol-6-yl)-4-(1,3-dithian-2-ylidene)cyclohexane-1-carbonitrile Traditional Name: 1-(1-cyclopentyl-3-ethyl-indazol-6-yl)-4-(1,3-dithian-2-ylidene)cyclohexanecarbonitrile Formula: C25H31N3S2 MolecularWeight: 437.66374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C=CC(=C2)C3(CCC(=C4SCCCS4)CC3)C#N)C5CCCC5

Isomeric SMILES

CCC1=NN(C2=C1C=CC(=C2)C3(CCC(=C4SCCCS4)CC3)C#N)C5CCCC5

InChI

InChI=1S/C25H31N3S2/c1-2-22-21-9-8-19(16-23(21)28(27-22)20-6-3-4-7-20)25(17-26)12-10-18(11-13-25)24-29-14-5-15-30-24/h8-9,16,20H,2-7,10-15H2,1H3