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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitro-benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-morpholinocyclohexyl)methyl]-3-nitro-benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[[1-(4-morpholinyl)cyclohexyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[(1-morpholinocyclohexyl)methyl]-3-nitro-benzamide Formula: C21H28N6O4S MolecularWeight: 460.54982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC3(CCCCC3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC3(CCCCC3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O4S/c1-25-15-23-24-20(25)32-18-6-5-16(13-17(18)27(29)30)19(28)22-14-21(7-3-2-4-8-21)26-9-11-31-12-10-26/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,22,28)