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

Systemtic Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C14H17N5O3S2 MolecularWeight: 367.44648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O3S2/c1-2-3-7-15-13-17-18-14(24-13)23-9-12(20)16-10-5-4-6-11(8-10)19(21)22/h4-6,8H,2-3,7,9H2,1H3,(H,15,17)(H,16,20)