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

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-(2,5-dimethylphenyl)-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)C)N2C=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N

InChI

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