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

Systemtic Name: 4-[(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-2H-phthalazin-1-one Openeye Name: 4-[(4-butyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-2H-phthalazin-1-one CAS Name: 4-[(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-2H-phthalazin-1-one IUPAC Name: 4-[(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-2H-phthalazin-1-one Traditional Name: 4-[(4-butyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-2H-phthalazin-1-one Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)COC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCN1C(=NNC1=S)COC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H17N5O2S/c1-2-3-8-20-12(16-19-15(20)23)9-22-14-11-7-5-4-6-10(11)13(21)17-18-14/h4-7H,2-3,8-9H2,1H3,(H,17,21)(H,19,23)