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

Systemtic Name: 2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C21H22N6S MolecularWeight: 390.50458

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)N)C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)N)C4=CC(=CC=C4)C

InChI

InChI=1S/C21H22N6S/c1-3-11-27-20(15-8-6-7-14(2)12-15)25-26-21(27)28-13-18-23-17-10-5-4-9-16(17)19(22)24-18/h4-10,12H,3,11,13H2,1-2H3,(H2,22,23,24)