N-[2-(phenylmethylsulfanyl)phenyl]-3-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate

Systemtic Name: N-[2-(phenylmethylsulfanyl)phenyl]-3-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate Openeye Name: N-(2-benzylsulfanylphenyl)-3-(2H-tetrazol-5-yl)benzenecarboximidate CAS Name: N-[2-(phenylmethylthio)phenyl]-3-(2H-tetrazol-5-yl)benzenecarboximidate IUPAC Name: N-(2-benzylsulfanylphenyl)-3-(2H-tetrazol-5-yl)benzenecarboximidate Traditional Name: N-[2-(benzylthio)phenyl]-3-(2H-tetrazol-5-yl)benzenecarboximidate Formula: C21H16N5OS- MolecularWeight: 386.44964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2N=C(C3=CC=CC(=C3)C4=NNN=N4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2N=C(C3=CC=CC(=C3)C4=NNN=N4)[O-]

InChI

InChI=1S/C21H17N5OS/c27-21(17-10-6-9-16(13-17)20-23-25-26-24-20)22-18-11-4-5-12-19(18)28-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,22,27)(H,23,24,25,26)/p-1