N-[[4-(4-bromophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-(4-bromophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[4-(4-bromophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[4-(4-bromophenyl)-5-[[2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-(4-bromophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[4-(4-bromophenyl)-5-[[2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Formula: C20H18BrN7O2S4 MolecularWeight: 596.56662

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)CNC(=O)C4=CC=CS4

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C20H18BrN7O2S4/c1-2-31-20-27-25-18(34-20)23-16(29)11-33-19-26-24-15(10-22-17(30)14-4-3-9-32-14)28(19)13-7-5-12(21)6-8-13/h3-9H,2,10-11H2,1H3,(H,22,30)(H,23,25,29)