4-[4-(oxolan-2-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-(oxolan-2-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-2H-phthalazin-1-one Openeye Name: 4-[4-(tetrahydrofuran-2-ylmethyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-2H-phthalazin-1-one CAS Name: 4-[4-(2-oxolanylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(oxolan-2-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-2H-phthalazin-1-one Traditional Name: 4-[4-(tetrahydrofurfuryl)-5-thioxo-1H-1,2,4-triazol-3-yl]-2H-phthalazin-1-one Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NNC2=S)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CC(OC1)CN2C(=NNC2=S)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C15H15N5O2S/c21-14-11-6-2-1-5-10(11)12(16-18-14)13-17-19-15(23)20(13)8-9-4-3-7-22-9/h1-2,5-6,9H,3-4,7-8H2,(H,18,21)(H,19,23)