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

Systemtic Name: 2-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Openeye Name: 2-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one CAS Name: 2-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-phthalazinone IUPAC Name: 2-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Traditional Name: 2-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Formula: C14H13N5OS MolecularWeight: 299.35092

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

C=CCN1C(=NNC1=S)CN2C(=O)C3=CC=CC=C3C=N2

InChI

InChI=1S/C14H13N5OS/c1-2-7-18-12(16-17-14(18)21)9-19-13(20)11-6-4-3-5-10(11)8-15-19/h2-6,8H,1,7,9H2,(H,17,21)