N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4-(3-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4-(3-nitropyrazol-1-yl)butanamide Openeye Name: N-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-4-(3-nitropyrazol-1-yl)butanamide CAS Name: N-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-4-(3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4-(3-nitropyrazol-1-yl)butanamide Traditional Name: N-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]-4-(3-nitropyrazol-1-yl)butyramide Formula: C17H25N5O4S MolecularWeight: 395.4765

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCNC(=O)CCCN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCCNC(=O)CCCN2C=CC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O4S/c1-20(2)12-14-5-6-15(26-14)13-27-11-8-18-17(23)4-3-9-21-10-7-16(19-21)22(24)25/h5-7,10H,3-4,8-9,11-13H2,1-2H3,(H,18,23)