4-imidazol-1-yl-3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 4-imidazol-1-yl-3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-imidazol-1-yl-3-nitro-benzamide CAS Name: 4-(1-imidazolyl)-3-nitro-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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