2-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-bromophenyl)propanamide

Systemtic Name: 2-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-bromophenyl)propanamide Openeye Name: 2-[[5-(2-amino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-bromophenyl)propanamide CAS Name: 2-[[5-[(2-amino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-(4-bromophenyl)propanamide IUPAC Name: 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-bromophenyl)propanamide Traditional Name: 2-[[5-[(2-amino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-(4-bromophenyl)propionamide Formula: C13H13BrN4O2S3 MolecularWeight: 433.36692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(S2)SCC(=O)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(S2)SCC(=O)N

InChI

InChI=1S/C13H13BrN4O2S3/c1-7(11(20)16-9-4-2-8(14)3-5-9)22-13-18-17-12(23-13)21-6-10(15)19/h2-5,7H,6H2,1H3,(H2,15,19)(H,16,20)