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

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C18H16N6S MolecularWeight: 348.42484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C18H16N6S/c1-11-6-8-12(9-7-11)17-22-18(24-23-17)25-10-15-20-14-5-3-2-4-13(14)16(19)21-15/h2-9H,10H2,1H3,(H2,19,20,21)(H,22,23,24)