2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline

Systemtic Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline Openeye Name: 2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline CAS Name: 2-[[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methylquinoxaline IUPAC Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methylquinoxaline Traditional Name: 2-[[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-quinoxaline Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3C4CCCCC4)C5=CC=CO5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3C4CCCCC4)C5=CC=CO5

InChI

InChI=1S/C22H23N5OS/c1-15-19(24-18-11-6-5-10-17(18)23-15)14-29-22-26-25-21(20-12-7-13-28-20)27(22)16-8-3-2-4-9-16/h5-7,10-13,16H,2-4,8-9,14H2,1H3