2-(phenylmethyl)-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phthalazin-1-one

Systemtic Name: 2-(phenylmethyl)-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phthalazin-1-one Openeye Name: 2-benzyl-4-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)phthalazin-1-one CAS Name: 2-(phenylmethyl)-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1-phthalazinone IUPAC Name: 2-benzyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phthalazin-1-one Traditional Name: 2-benzyl-4-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)phthalazin-1-one Formula: C17H12N4O2S MolecularWeight: 336.36778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NNC(=S)O4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NNC(=S)O4

InChI

InChI=1S/C17H12N4O2S/c22-16-13-9-5-4-8-12(13)14(15-18-19-17(24)23-15)20-21(16)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,19,24)