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

Systemtic Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-4-morpholino-3-nitro-benzamide Formula: C16H20N6O4S MolecularWeight: 392.4328

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

CCSC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N6O4S/c1-3-27-16-18-17-11(2)21(16)19-15(23)12-4-5-13(14(10-12)22(24)25)20-6-8-26-9-7-20/h4-5,10H,3,6-9H2,1-2H3,(H,19,23)