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

Systemtic Name: 2-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-bromanyl-2-methyl-phenyl)propanamide Openeye Name: 2-[[5-(2-amino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-bromo-2-methyl-phenyl)propanamide CAS Name: 2-[[5-[(2-amino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-(4-bromo-2-methylphenyl)propanamide IUPAC Name: 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-bromo-2-methylphenyl)propanamide Traditional Name: 2-[[5-[(2-amino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-(4-bromo-2-methyl-phenyl)propionamide Formula: C14H15BrN4O2S3 MolecularWeight: 447.3935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C(C)SC2=NN=C(S2)SCC(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C(C)SC2=NN=C(S2)SCC(=O)N

InChI

InChI=1S/C14H15BrN4O2S3/c1-7-5-9(15)3-4-10(7)17-12(21)8(2)23-14-19-18-13(24-14)22-6-11(16)20/h3-5,8H,6H2,1-2H3,(H2,16,20)(H,17,21)