N-(3-imidazol-1-ylpropyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-4-(methylthio)-3-nitro-benzamide Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCCCN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCCCN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3S/c1-22-13-4-3-11(9-12(13)18(20)21)14(19)16-5-2-7-17-8-6-15-10-17/h3-4,6,8-10H,2,5,7H2,1H3,(H,16,19)