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

Systemtic Name: 3-(3-methylbutyl)-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-isopentyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3-methylbutyl)-4-oxo-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-1-phthalazinecarboxamide IUPAC Name: 3-(3-methylbutyl)-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-isoamyl-4-keto-phthalazine-1-carboxamide Formula: C19H21N5O2S2 MolecularWeight: 415.53234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC=C

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC=C

InChI

InChI=1S/C19H21N5O2S2/c1-4-11-27-19-22-21-18(28-19)20-16(25)15-13-7-5-6-8-14(13)17(26)24(23-15)10-9-12(2)3/h4-8,12H,1,9-11H2,2-3H3,(H,20,21,25)