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

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C22H21ClN6S MolecularWeight: 436.96034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N)C5=CC=CC=C5Cl

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N)C5=CC=CC=C5Cl

InChI

InChI=1S/C22H21ClN6S/c23-17-11-5-3-9-15(17)21-27-28-22(29(21)14-7-1-2-8-14)30-13-19-25-18-12-6-4-10-16(18)20(24)26-19/h3-6,9-12,14H,1-2,7-8,13H2,(H2,24,25,26)