N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-4-(3-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-4-(3-nitropyrazol-1-yl)butanamide Openeye Name: N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-4-(3-nitropyrazol-1-yl)butanamide CAS Name: N-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-4-(3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-4-(3-nitropyrazol-1-yl)butanamide Traditional Name: N-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-4-(3-nitropyrazol-1-yl)butyramide Formula: C14H20N6O3S MolecularWeight: 352.412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=O)CCCN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=CN1)CSCCNC(=O)CCCN2C=CC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N6O3S/c1-11-12(17-10-16-11)9-24-8-5-15-14(21)3-2-6-19-7-4-13(18-19)20(22)23/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,15,21)(H,16,17)