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

Systemtic Name: 4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-2H-phthalazin-1-one Openeye Name: 4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-2H-phthalazin-1-one CAS Name: 4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-2H-phthalazin-1-one IUPAC Name: 4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-2H-phthalazin-1-one Traditional Name: 4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-2H-phthalazin-1-one Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)COC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C=CCN1C(=NNC1=S)COC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C14H13N5O2S/c1-2-7-19-11(15-18-14(19)22)8-21-13-10-6-4-3-5-9(10)12(20)16-17-13/h2-6H,1,7-8H2,(H,16,20)(H,18,22)