3-[[(4-cyanophenyl)carbamothioylamino]-phenyl-methyl]benzenediazonium ethanoate

Systemtic Name: 3-[[(4-cyanophenyl)carbamothioylamino]-phenyl-methyl]benzenediazonium ethanoate Openeye Name: 3-[[(4-cyanophenyl)carbamothioylamino]-phenyl-methyl]benzenediazonium acetate CAS Name: 3-[[[(4-cyanoanilino)-sulfanylidenemethyl]amino]-phenylmethyl]benzenediazonium acetate IUPAC Name: 3-[[(4-cyanophenyl)carbamothioylamino]-phenylmethyl]benzenediazonium acetate Traditional Name: 3-[[(4-cyanophenyl)thiocarbamoylamino]-phenyl-methyl]benzenediazonium acetate Formula: C23H19N5O2S MolecularWeight: 429.49426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C(C=C1)C(C2=CC(=CC=C2)[N+]#N)NC(=S)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)[O-].C1=CC=C(C=C1)C(C2=CC(=CC=C2)[N+]#N)NC(=S)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H15N5S.C2H4O2/c22-14-15-9-11-18(12-10-15)24-21(27)25-20(16-5-2-1-3-6-16)17-7-4-8-19(13-17)26-23;1-2(3)4/h1-13,20H,(H-,24,25,27);1H3,(H,3,4)