3-butyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C23H20N6O2S2 MolecularWeight: 476.5739

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H20N6O2S2/c1-2-3-12-29-21(31)18-7-5-4-6-17(18)19(28-29)20(30)25-22-26-27-23(33-22)32-14-16-10-8-15(13-24)9-11-16/h4-11H,2-3,12,14H2,1H3,(H,25,26,30)