1,2-bis(3-phenylsulfanylphenyl)guanidine; ethanedioic acid

Systemtic Name: 1,2-bis(3-phenylsulfanylphenyl)guanidine; ethanedioic acid Openeye Name: 1,2-bis(3-phenylsulfanylphenyl)guanidine; oxalic acid CAS Name: 1,2-bis[3-(phenylthio)phenyl]guanidine; oxalic acid IUPAC Name: 1,2-bis(3-phenylsulfanylphenyl)guanidine; oxalic acid Traditional Name: 1,2-bis[3-(phenylthio)phenyl]guanidine; oxalic acid Formula: C27H23N3O4S2 MolecularWeight: 517.61922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC(=C2)NC(=NC3=CC(=CC=C3)SC4=CC=CC=C4)N.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC(=C2)NC(=NC3=CC(=CC=C3)SC4=CC=CC=C4)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H21N3S2.C2H2O4/c26-25(27-19-9-7-15-23(17-19)29-21-11-3-1-4-12-21)28-20-10-8-16-24(18-20)30-22-13-5-2-6-14-22;3-1(4)2(5)6/h1-18H,(H3,26,27,28);(H,3,4)(H,5,6)