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

Systemtic Name: 2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline Openeye Name: 2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline CAS Name: 2-[[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methylquinoxaline IUPAC Name: 2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methylquinoxaline Traditional Name: 2-[[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-quinoxaline Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5OS/c1-17-23(27-22-11-7-6-10-21(22)26-17)16-32-25-29-28-24(18-12-14-20(31-2)15-13-18)30(25)19-8-4-3-5-9-19/h6-7,10-15,19H,3-5,8-9,16H2,1-2H3