3-cyclopentyl-5-phenyl-7-(phenylmethylsulfanyl)-[1,2,3]triazolo[4,5-d]pyrimidine

Systemtic Name: 3-cyclopentyl-5-phenyl-7-(phenylmethylsulfanyl)-[1,2,3]triazolo[4,5-d]pyrimidine Openeye Name: 7-benzylsulfanyl-3-cyclopentyl-5-phenyl-triazolo[4,5-d]pyrimidine CAS Name: 3-cyclopentyl-5-phenyl-7-(phenylmethylthio)triazolo[4,5-d]pyrimidine IUPAC Name: 7-benzylsulfanyl-3-cyclopentyl-5-phenyltriazolo[4,5-d]pyrimidine Traditional Name: 7-(benzylthio)-3-cyclopentyl-5-phenyl-triazolo[4,5-d]pyrimidine Formula: C22H21N5S MolecularWeight: 387.50064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=NC(=N3)C4=CC=CC=C4)SCC5=CC=CC=C5)N=N2

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=NC(=N3)C4=CC=CC=C4)SCC5=CC=CC=C5)N=N2

InChI

InChI=1S/C22H21N5S/c1-3-9-16(10-4-1)15-28-22-19-21(27(26-25-19)18-13-7-8-14-18)23-20(24-22)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2