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

Systemtic Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline Openeye Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline CAS Name: 2-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methylquinoxaline IUPAC Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methylquinoxaline Traditional Name: 2-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-quinoxaline Formula: C23H25N5OS MolecularWeight: 419.5425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC2=NC3=CC=CC=C3N=C2C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC2=NC3=CC=CC=C3N=C2C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H25N5OS/c1-4-5-14-28-22(17-10-12-18(29-3)13-11-17)26-27-23(28)30-15-21-16(2)24-19-8-6-7-9-20(19)25-21/h6-13H,4-5,14-15H2,1-3H3