2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-nitrophenyl)propanamide

Systemtic Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-nitrophenyl)propanamide CAS Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-nitrophenyl)propanamide IUPAC Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-nitrophenyl)propionamide Formula: C15H19N5O3S2 MolecularWeight: 381.47306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=NN=C(S1)SC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O3S2/c1-3-4-9-16-14-18-19-15(25-14)24-10(2)13(21)17-11-7-5-6-8-12(11)20(22)23/h5-8,10H,3-4,9H2,1-2H3,(H,16,18)(H,17,21)