2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-(2-methoxyethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-(2-methoxyethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C21H22N6OS MolecularWeight: 406.50398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CCOC)SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CCOC)SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H22N6OS/c1-14-6-5-7-15(12-14)20-25-26-21(27(20)10-11-28-2)29-13-18-23-17-9-4-3-8-16(17)19(22)24-18/h3-9,12H,10-11,13H2,1-2H3,(H2,22,23,24)