2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide

Systemtic Name: 2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 2-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 2-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 2-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C17H17N5O4S2 MolecularWeight: 419.47798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(S2)NCC3=CC=CO3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(S2)NCC3=CC=CO3

InChI

InChI=1S/C17H17N5O4S2/c1-10-8-12(22(24)25)5-6-14(10)19-15(23)11(2)27-17-21-20-16(28-17)18-9-13-4-3-7-26-13/h3-8,11H,9H2,1-2H3,(H,18,20)(H,19,23)