4-imidazol-1-yl-3-nitro-N-(3-phenylsulfanylpropyl)benzamide

Systemtic Name: 4-imidazol-1-yl-3-nitro-N-(3-phenylsulfanylpropyl)benzamide Openeye Name: 4-imidazol-1-yl-3-nitro-N-(3-phenylsulfanylpropyl)benzamide CAS Name: 4-(1-imidazolyl)-3-nitro-N-[3-(phenylthio)propyl]benzamide IUPAC Name: 4-imidazol-1-yl-3-nitro-N-(3-phenylsulfanylpropyl)benzamide Traditional Name: 4-imidazol-1-yl-3-nitro-N-[3-(phenylthio)propyl]benzamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c24-19(21-9-4-12-27-16-5-2-1-3-6-16)15-7-8-17(18(13-15)23(25)26)22-11-10-20-14-22/h1-3,5-8,10-11,13-14H,4,9,12H2,(H,21,24)