N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-6-oxo-1-propyl-pyridazine-3-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-6-oxo-1-propyl-3-pyridazinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-6-keto-1-propyl-pyridazine-3-carboxamide Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H23N5O2S/c1-3-11-24-17(25)9-8-16(23-24)19(26)22-15(10-12-27-2)18-20-13-6-4-5-7-14(13)21-18/h4-9,15H,3,10-12H2,1-2H3,(H,20,21)(H,22,26)/t15-/m0/s1