N-phenyl-N'-[4-(phenylmethyl)-3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-4-ium-5-yl]benzenecarboximidamide

Systemtic Name: N-phenyl-N'-[4-(phenylmethyl)-3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-4-ium-5-yl]benzenecarboximidamide Openeye Name: N'-(4-benzyl-3-benzylsulfanyl-1,2,4-thiadiazol-4-ium-5-yl)-N-phenyl-benzamidine CAS Name: N-phenyl-N'-[4-(phenylmethyl)-3-(phenylmethylthio)-1,2,4-thiadiazol-4-ium-5-yl]benzenecarboximidamide IUPAC Name: N'-(4-benzyl-3-benzylsulfanyl-1,2,4-thiadiazol-4-ium-5-yl)-N-phenylbenzenecarboximidamide Traditional Name: N'-[4-benzyl-3-(benzylthio)-1,2,4-thiadiazol-4-ium-5-yl]-N-phenyl-benzamidine Formula: C29H25N4S2+ MolecularWeight: 493.6656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(SN=C2SCC3=CC=CC=C3)N=C(C4=CC=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(SN=C2SCC3=CC=CC=C3)N=C(C4=CC=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C29H24N4S2/c1-5-13-23(14-6-1)21-33-28(35-32-29(33)34-22-24-15-7-2-8-16-24)31-27(25-17-9-3-10-18-25)30-26-19-11-4-12-20-26/h1-20H,21-22H2/p+1