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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline Openeye Name: 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline CAS Name: 2-[[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-3-methylquinoxaline IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methylquinoxaline Traditional Name: 2-[[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-quinoxaline Formula: C27H25N5OS MolecularWeight: 467.5853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=CC=C5OC

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=CC=C5OC

InChI

InChI=1S/C27H25N5OS/c1-19-24(29-23-14-8-7-13-22(23)28-19)18-34-27-31-30-26(21-12-6-9-15-25(21)33-2)32(27)17-16-20-10-4-3-5-11-20/h3-15H,16-18H2,1-2H3