2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C17H20N6O4S MolecularWeight: 404.4435

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C17H20N6O4S/c24-15(18-12-2-1-3-14(10-12)23(25)26)11-28-17-20-19-16(22(17)13-4-5-13)21-6-8-27-9-7-21/h1-3,10,13H,4-9,11H2,(H,18,24)