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

Systemtic Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C19H18N6S MolecularWeight: 362.45142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C19H18N6S/c1-12-7-9-13(10-8-12)18-23-24-19(25(18)2)26-11-16-21-15-6-4-3-5-14(15)17(20)22-16/h3-10H,11H2,1-2H3,(H2,20,21,22)