8-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 8-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 8-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 8-[[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 8-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 8-[[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C23H24N4S2 MolecularWeight: 420.59346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC4=C3N=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC4=C3N=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C23H24N4S2/c1-2-10-19(11-3-1)27-21(15-20-12-6-14-28-20)25-26-23(27)29-16-18-8-4-7-17-9-5-13-24-22(17)18/h4-9,12-14,19H,1-3,10-11,15-16H2