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

Systemtic Name: 1-phenyl-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-phenyl-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-phenyl-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazolo[3,4-d]pyrimidine Traditional Name: 4-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C21H16N8S MolecularWeight: 412.47034

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C=CCN1C(=NN=C1SC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C21H16N8S/c1-2-12-28-18(15-8-10-22-11-9-15)26-27-21(28)30-20-17-13-25-29(19(17)23-14-24-20)16-6-4-3-5-7-16/h2-11,13-14H,1,12H2