N-(2-bromanyl-4-nitro-phenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-bromo-4-nitro-phenyl)acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-bromo-4-nitro-phenyl)acetamide Formula: C13H12BrN5O3S2 MolecularWeight: 430.30008

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H12BrN5O3S2/c1-2-5-15-12-17-18-13(24-12)23-7-11(20)16-10-4-3-8(19(21)22)6-9(10)14/h2-4,6H,1,5,7H2,(H,15,17)(H,16,20)