4-[2-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[(3-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C20H18FN5O4S MolecularWeight: 443.451423

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC(=CC=C2)F)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(C2=CC(=CC=C2)F)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H18FN5O4S/c1-25-8-7-23-20(25)18(12-3-2-4-14(21)9-12)24-17(27)11-31-16-6-5-13(19(22)28)10-15(16)26(29)30/h2-10,18H,11H2,1H3,(H2,22,28)(H,24,27)