4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)-3-nitro-benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)-3-nitro-benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-morpholinophenyl)-3-nitro-benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[2-(4-morpholinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-(2-morpholinophenyl)-3-nitro-benzamide Formula: C20H20N6O4S MolecularWeight: 440.4756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O4S/c1-24-13-21-23-20(24)31-18-7-6-14(12-17(18)26(28)29)19(27)22-15-4-2-3-5-16(15)25-8-10-30-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,22,27)