3-(phenylmethylsulfanyl)-5H-[1,2,4]triazolo[3,4-a]phthalazin-6-one

Systemtic Name: 3-(phenylmethylsulfanyl)-5H-[1,2,4]triazolo[3,4-a]phthalazin-6-one Openeye Name: 3-benzylsulfanyl-5H-[1,2,4]triazolo[3,4-a]phthalazin-6-one CAS Name: 3-(phenylmethylthio)-5H-[1,2,4]triazolo[3,4-a]phthalazin-6-one IUPAC Name: 3-benzylsulfanyl-5H-[1,2,4]triazolo[3,4-a]phthalazin-6-one Traditional Name: 3-(benzylthio)-5H-[1,2,4]triazolo[3,4-a]phthalazin-6-one Formula: C16H12N4OS MolecularWeight: 308.35768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C3N2NC(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C3N2NC(=O)C4=CC=CC=C43

InChI

InChI=1S/C16H12N4OS/c21-15-13-9-5-4-8-12(13)14-17-18-16(20(14)19-15)22-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,19,21)