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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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