3-phenethyl-2H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thione

Systemtic Name: 3-phenethyl-2H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thione Openeye Name: 3-phenethyl-2H-triazolo[4,5-d]pyrimidine-7-thione CAS Name: 3-phenethyl-2H-triazolo[4,5-d]pyrimidine-7-thione IUPAC Name: 3-phenethyl-2H-triazolo[4,5-d]pyrimidine-7-thione Traditional Name: 3-phenethyl-2H-triazolo[4,5-d]pyrimidine-7-thione Formula: C12H11N5S MolecularWeight: 257.31424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=NC=NC(=S)C3=NN2

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=NC=NC(=S)C3=NN2

InChI

InChI=1S/C12H11N5S/c18-12-10-11(13-8-14-12)17(16-15-10)7-6-9-4-2-1-3-5-9/h1-5,8,16H,6-7H2