4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)-3-nitro-benzamide

Systemtic Name: 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)-3-nitro-benzamide Openeye Name: 4-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholinophenyl)-3-nitro-benzamide CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-N-[2-(4-morpholinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(1-methyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-N-(2-morpholinophenyl)-3-nitro-benzamide Formula: C19H19N7O4S MolecularWeight: 441.46366

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N7O4S/c1-24-19(21-22-23-24)31-17-7-6-13(12-16(17)26(28)29)18(27)20-14-4-2-3-5-15(14)25-8-10-30-11-9-25/h2-7,12H,8-11H2,1H3,(H,20,27)