N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-4-morpholino-3-nitro-benzamide Formula: C15H18N6O4S MolecularWeight: 378.40622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])SC

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])SC

InChI

InChI=1S/C15H18N6O4S/c1-10-16-17-15(26-2)20(10)18-14(22)11-3-4-12(13(9-11)21(23)24)19-5-7-25-8-6-19/h3-4,9H,5-8H2,1-2H3,(H,18,22)