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

Systemtic Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: 2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Traditional Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propionamide Formula: C18H22N6O4S MolecularWeight: 418.47008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C3CC3)N4CCOCC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C3CC3)N4CCOCC4

InChI

InChI=1S/C18H22N6O4S/c1-12(16(25)19-13-2-4-15(5-3-13)24(26)27)29-18-21-20-17(23(18)14-6-7-14)22-8-10-28-11-9-22/h2-5,12,14H,6-11H2,1H3,(H,19,25)