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

Systemtic Name: 3-butyl-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-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-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]-3-butyl-4-keto-phthalazine-1-carboxamide Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC=C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC=C

InChI

InChI=1S/C18H19N5O2S2/c1-3-5-10-23-16(25)13-9-7-6-8-12(13)14(22-23)15(24)19-17-20-21-18(27-17)26-11-4-2/h4,6-9H,2-3,5,10-11H2,1H3,(H,19,20,24)