2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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