4-bromanyl-N-[5-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[5-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-bromo-N-[5-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-bromo-N-[5-[[2-(4-methylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-bromo-N-[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-bromo-N-[5-[[2-keto-2-(p-toluidino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H15BrN4O2S2 MolecularWeight: 463.3713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrN4O2S2/c1-11-2-8-14(9-3-11)20-15(24)10-26-18-23-22-17(27-18)21-16(25)12-4-6-13(19)7-5-12/h2-9H,10H2,1H3,(H,20,24)(H,21,22,25)