1-phenyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-phenyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-phenyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-phenyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-phenyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-phenyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]pyrazolo[3,4-d]pyrimidine Formula: C19H13N7S MolecularWeight: 371.41842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C19H13N7S/c1-3-7-13(8-4-1)16-23-19(25-24-16)27-18-15-11-22-26(17(15)20-12-21-18)14-9-5-2-6-10-14/h1-12H,(H,23,24,25)