N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-4-nitro-3-oxidanyl-benzamide

Systemtic Name: N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-4-nitro-3-oxidanyl-benzamide Openeye Name: 3-hydroxy-N-[5-(1-methylimidazol-2-yl)-4-phenyl-thiazol-2-yl]-4-nitro-benzamide CAS Name: 3-hydroxy-N-[5-(1-methyl-2-imidazolyl)-4-phenyl-2-thiazolyl]-4-nitrobenzamide IUPAC Name: 3-hydroxy-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-4-nitrobenzamide Traditional Name: 3-hydroxy-N-[5-(1-methylimidazol-2-yl)-4-phenyl-thiazol-2-yl]-4-nitro-benzamide Formula: C20H15N5O4S MolecularWeight: 421.4292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C2=C(N=C(S2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O)C4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1C2=C(N=C(S2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O)C4=CC=CC=C4

InChI

InChI=1S/C20H15N5O4S/c1-24-10-9-21-18(24)17-16(12-5-3-2-4-6-12)22-20(30-17)23-19(27)13-7-8-14(25(28)29)15(26)11-13/h2-11,26H,1H3,(H,22,23,27)