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

Systemtic Name: 3-butyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C17H19N5O2S2 MolecularWeight: 389.49506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2S2/c1-3-5-10-22-15(24)12-9-7-6-8-11(12)13(21-22)14(23)18-16-19-20-17(26-16)25-4-2/h6-9H,3-5,10H2,1-2H3,(H,18,19,23)