N-[[4-(3-methoxyphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinolin-8-yl-methanamine

Systemtic Name: N-[[4-(3-methoxyphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinolin-8-yl-methanamine Openeye Name: N-[[5-isobutylsulfanyl-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(8-quinolyl)methanamine CAS Name: N-[[4-(3-methoxyphenyl)-5-(2-methylpropylthio)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(8-quinolinyl)methanamine IUPAC Name: N-[[4-(3-methoxyphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine Traditional Name: [5-(isobutylthio)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl-methyl-(8-quinolylmethyl)amine Formula: C25H29N5OS MolecularWeight: 447.59566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(N1C2=CC(=CC=C2)OC)CN(C)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C)CSC1=NN=C(N1C2=CC(=CC=C2)OC)CN(C)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H29N5OS/c1-18(2)17-32-25-28-27-23(30(25)21-11-6-12-22(14-21)31-4)16-29(3)15-20-9-5-8-19-10-7-13-26-24(19)20/h5-14,18H,15-17H2,1-4H3