4-[3-(3-methyl-5-nitro-pyridin-2-yl)phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide

Systemtic Name: 4-[3-(3-methyl-5-nitro-pyridin-2-yl)phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[3-(3-methyl-5-nitro-2-pyridyl)phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[3-(3-methyl-5-nitro-2-pyridinyl)phenyl]sulfonyl-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[3-(3-methyl-5-nitropyridin-2-yl)phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[3-(3-methyl-5-nitro-2-pyridyl)phenyl]sulfonyl-5-(methylthio)thiophene-2-carboxamidine Formula: C18H16N4O4S3 MolecularWeight: 448.53904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CN=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S3/c1-10-6-12(22(23)24)9-21-16(10)11-4-3-5-13(7-11)29(25,26)15-8-14(17(19)20)28-18(15)27-2/h3-9H,1-2H3,(H3,19,20)