3-[(2-chlorophenyl)methyl]-4-oxidanylidene-N-(5-propyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide

Systemtic Name: 3-[(2-chlorophenyl)methyl]-4-oxidanylidene-N-(5-propyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Openeye Name: 3-[(2-chlorophenyl)methyl]-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide CAS Name: 3-[(2-chlorophenyl)methyl]-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-phthalazinecarboxamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Traditional Name: 3-(2-chlorobenzyl)-4-keto-N-(5-propyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4Cl

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H18ClN5O2S/c1-2-7-17-24-25-21(30-17)23-19(28)18-14-9-4-5-10-15(14)20(29)27(26-18)12-13-8-3-6-11-16(13)22/h3-6,8-11H,2,7,12H2,1H3,(H,23,25,28)