5-methylsulfanyl-4-(3-phenyl-5-phenylmethoxy-phenyl)sulfonyl-thiophene-2-carboximidamide hydrochloride

Systemtic Name: 5-methylsulfanyl-4-(3-phenyl-5-phenylmethoxy-phenyl)sulfonyl-thiophene-2-carboximidamide hydrochloride Openeye Name: 4-(3-benzyloxy-5-phenyl-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine hydrochloride CAS Name: 5-(methylthio)-4-(3-phenyl-5-phenylmethoxyphenyl)sulfonyl-2-thiophenecarboximidamide hydrochloride IUPAC Name: 5-methylsulfanyl-4-(3-phenyl-5-phenylmethoxyphenyl)sulfonylthiophene-2-carboximidamide hydrochloride Traditional Name: 4-(3-benzoxy-5-phenyl-phenyl)sulfonyl-5-(methylthio)thiophene-2-carboxamidine hydrochloride Formula: C25H23ClN2O3S3 MolecularWeight: 531.10972

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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)OCC3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=CC(=C2)OCC3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C25H22N2O3S3.ClH/c1-31-25-23(15-22(32-25)24(26)27)33(28,29)21-13-19(18-10-6-3-7-11-18)12-20(14-21)30-16-17-8-4-2-5-9-17;/h2-15H,16H2,1H3,(H3,26,27);1H