2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]guanidine sulfate

Systemtic Name: 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]guanidine sulfate Openeye Name: 2-[(4,5-diphenyloxazol-2-yl)methyl]guanidine sulfate CAS Name: 2-[(4,5-diphenyl-2-oxazolyl)methyl]guanidine sulfate IUPAC Name: 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]guanidine sulfate Traditional Name: 2-[(4,5-diphenyloxazol-2-yl)methyl]guanidine sulfate Formula: C34H32N8O6S-2 MolecularWeight: 680.73288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=N2)CN=C(N)N)C3=CC=CC=C3.C1=CC=C(C=C1)C2=C(OC(=N2)CN=C(N)N)C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=N2)CN=C(N)N)C3=CC=CC=C3.C1=CC=C(C=C1)C2=C(OC(=N2)CN=C(N)N)C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C17H16N4O.H2O4S/c2*18-17(19)20-11-14-21-15(12-7-3-1-4-8-12)16(22-14)13-9-5-2-6-10-13;1-5(2,3)4/h2*1-10H,11H2,(H4,18,19,20);(H2,1,2,3,4)/p-2