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

Systemtic Name: 4-[[(4-cyanophenyl)carbamothioylamino]-phenyl-methyl]benzenediazonium Openeye Name: 4-[[(4-cyanophenyl)carbamothioylamino]-phenyl-methyl]benzenediazonium CAS Name: 4-[[[(4-cyanoanilino)-sulfanylidenemethyl]amino]-phenylmethyl]benzenediazonium IUPAC Name: 4-[[(4-cyanophenyl)carbamothioylamino]-phenylmethyl]benzenediazonium Traditional Name: 4-[[(4-cyanophenyl)thiocarbamoylamino]-phenyl-methyl]benzenediazonium Formula: C21H16N5S+ MolecularWeight: 370.45024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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