N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H24N6O2S/c1-29-20-25-22-16(26(20)13-7-2-3-8-13)11-6-12-21-19(28)17-14-9-4-5-10-15(14)18(27)24-23-17/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,21,28)(H,24,27)