3-methyl-4-oxidanylidene-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C15H13N5O2S2 MolecularWeight: 359.42602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC=C

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC=C

InChI

InChI=1S/C15H13N5O2S2/c1-3-8-23-15-18-17-14(24-15)16-12(21)11-9-6-4-5-7-10(9)13(22)20(2)19-11/h3-7H,1,8H2,2H3,(H,16,17,21)