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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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