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

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)-5-nitro-benzamide Openeye Name: 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-morpholinophenyl)-5-nitro-benzamide CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-N-[4-(4-morpholinyl)phenyl]-5-nitrobenzamide IUPAC Name: 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)-5-nitrobenzamide Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-N-(4-morpholinophenyl)-5-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)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

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