4-methylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-methylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-3-nitro-benzamide Openeye Name: 4-methylsulfanyl-N-[[5-(2-methylthiazol-4-yl)-2-furyl]methyl]-3-nitro-benzamide CAS Name: N-[[5-(2-methyl-4-thiazolyl)-2-furanyl]methyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: 4-methylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-3-nitrobenzamide Traditional Name: N-[[5-(2-methylthiazol-4-yl)-2-furyl]methyl]-4-(methylthio)-3-nitro-benzamide Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(O2)CNC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(O2)CNC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S2/c1-10-19-13(9-26-10)15-5-4-12(24-15)8-18-17(21)11-3-6-16(25-2)14(7-11)20(22)23/h3-7,9H,8H2,1-2H3,(H,18,21)