tert-butyl (NZ)-N-[azanyl-[4-(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonyl-5-methylsulfanyl-thiophen-2-yl]methylidene]carbamate

Systemtic Name: tert-butyl (NZ)-N-[azanyl-[4-(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonyl-5-methylsulfanyl-thiophen-2-yl]methylidene]carbamate Openeye Name: tert-butyl (NZ)-N-[amino-[4-[(5-bromo-6-chloro-3-pyridyl)sulfonyl]-5-methylsulfanyl-2-thienyl]methylene]carbamate CAS Name: (NZ)-N-[amino-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-5-(methylthio)-2-thiophenyl]methylidene]carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NZ)-N-[amino-[4-(5-bromo-6-chloropyridin-3-yl)sulfonyl-5-methylsulfanylthiophen-2-yl]methylidene]carbamate Traditional Name: (NZ)-N-[amino-[4-[(5-bromo-6-chloro-3-pyridyl)sulfonyl]-5-(methylthio)-2-thienyl]methylene]carbamic acid tert-butyl ester Formula: C16H17BrClN3O4S3 MolecularWeight: 526.87588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N=C(C1=CC(=C(S1)SC)S(=O)(=O)C2=CC(=C(N=C2)Cl)Br)N

Isomeric SMILES

CC(C)(C)OC(=O)/N=C(/C1=CC(=C(S1)SC)S(=O)(=O)C2=CC(=C(N=C2)Cl)Br)\N

InChI

InChI=1S/C16H17BrClN3O4S3/c1-16(2,3)25-15(22)21-13(19)10-6-11(14(26-4)27-10)28(23,24)8-5-9(17)12(18)20-7-8/h5-7H,1-4H3,(H2,19,21,22)