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

Systemtic Name: 3-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-(5-methyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S/c1-3-4-9-21-15(23)12-8-6-5-7-11(12)13(20-21)14(22)17-16-19-18-10(2)24-16/h5-8H,3-4,9H2,1-2H3,(H,17,19,22)