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

Systemtic Name: 5-methylsulfanyl-4-[3-[oxidanyl(pyridin-2-yl)methyl]phenyl]sulfonyl-thiophene-2-carboximidamide Openeye Name: 4-[3-[hydroxy(2-pyridyl)methyl]phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[3-[hydroxy(2-pyridinyl)methyl]phenyl]sulfonyl-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[3-[hydroxy(pyridin-2-yl)methyl]phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[3-[hydroxy(2-pyridyl)methyl]phenyl]sulfonyl-5-(methylthio)thiophene-2-carboxamidine Formula: C18H17N3O3S3 MolecularWeight: 419.54088

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC=CC(=C2)C(C3=CC=CC=N3)O

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC=CC(=C2)C(C3=CC=CC=N3)O

InChI

InChI=1S/C18H17N3O3S3/c1-25-18-15(10-14(26-18)17(19)20)27(23,24)12-6-4-5-11(9-12)16(22)13-7-2-3-8-21-13/h2-10,16,22H,1H3,(H3,19,20)