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

Systemtic Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)propanamide Openeye Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)propanamide CAS Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(3-nitrophenyl)propanamide IUPAC Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)propanamide Traditional Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(3-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/c1-3-4-8-16-14-18-19-15(25-14)24-10(2)13(21)17-11-6-5-7-12(9-11)20(22)23/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,18)(H,17,21)