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

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]benzenecarboximidate Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzenecarboximidate CAS Name: 2-[(2-cyanophenyl)thio]-N-[3-(2H-tetrazol-5-yl)phenyl]benzenecarboximidate IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzenecarboximidate Traditional Name: 2-[(2-cyanophenyl)thio]-N-[3-(2H-tetrazol-5-yl)phenyl]benzenecarboximidate Formula: C21H13N6OS- MolecularWeight: 397.43252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=NC3=CC=CC(=C3)C4=NNN=N4)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=NC3=CC=CC(=C3)C4=NNN=N4)[O-]

InChI

InChI=1S/C21H14N6OS/c22-13-15-6-1-3-10-18(15)29-19-11-4-2-9-17(19)21(28)23-16-8-5-7-14(12-16)20-24-26-27-25-20/h1-12H,(H,23,28)(H,24,25,26,27)/p-1