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

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCC3=NN=C(N3C4CCCC4)SC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCC3=NN=C(N3C4CCCC4)SC

InChI

InChI=1S/C21H26N6O2S/c1-26-20(29)16-11-6-5-10-15(16)18(25-26)19(28)22-13-7-12-17-23-24-21(30-2)27(17)14-8-3-4-9-14/h5-6,10-11,14H,3-4,7-9,12-13H2,1-2H3,(H,22,28)