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

Systemtic Name: 4-oxidanylidene-3-propan-2-yl-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-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: 4-oxo-3-propan-2-yl-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-propan-2-yl-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-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C17H17N5O2S2 MolecularWeight: 387.47918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC=C

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC=C

InChI

InChI=1S/C17H17N5O2S2/c1-4-9-25-17-20-19-16(26-17)18-14(23)13-11-7-5-6-8-12(11)15(24)22(21-13)10(2)3/h4-8,10H,1,9H2,2-3H3,(H,18,19,23)