diphenyl-[3-phenyl-2-(phenylmethyl)-1,2,4-thiadiazol-5-ylidene]azanium perchlorate hydrate

Systemtic Name: diphenyl-[3-phenyl-2-(phenylmethyl)-1,2,4-thiadiazol-5-ylidene]azanium perchlorate hydrate Openeye Name: (2-benzyl-3-phenyl-1,2,4-thiadiazol-5-ylidene)-diphenyl-ammonium perchlorate hydrate CAS Name: diphenyl-[3-phenyl-2-(phenylmethyl)-1,2,4-thiadiazol-5-ylidene]ammonium perchlorate hydrate IUPAC Name: (2-benzyl-3-phenyl-1,2,4-thiadiazol-5-ylidene)-diphenylazanium perchlorate hydrate Traditional Name: (2-benzyl-3-phenyl-1,2,4-thiadiazol-5-ylidene)-diphenyl-ammonium perchlorate hydrate Formula: C27H24ClN3O5S MolecularWeight: 538.01456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC(=[N+](C3=CC=CC=C3)C4=CC=CC=C4)S2)C5=CC=CC=C5.O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC(=[N+](C3=CC=CC=C3)C4=CC=CC=C4)S2)C5=CC=CC=C5.O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C27H22N3S.ClHO4.H2O/c1-5-13-22(14-6-1)21-29-26(23-15-7-2-8-16-23)28-27(31-29)30(24-17-9-3-10-18-24)25-19-11-4-12-20-25;2-1(3,4)5;/h1-20H,21H2;(H,2,3,4,5);1H2/q+1;;/p-1