5-[(E)-N-(diphenylphosphinothioylamino)-C-methyl-carbonimidoyl]-1,3-benzodioxole

Systemtic Name: 5-[(E)-N-(diphenylphosphinothioylamino)-C-methyl-carbonimidoyl]-1,3-benzodioxole Openeye Name: 5-[(E)-N-(diphenylphosphinothioylamino)-C-methyl-carbonimidoyl]-1,3-benzodioxole CAS Name: 5-[(1E)-1-(diphenylphosphinothioylhydrazinylidene)ethyl]-1,3-benzodioxole IUPAC Name: 5-[(E)-N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]-1,3-benzodioxole Traditional Name: [(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-diphenylthiophosphoryl-amine Formula: C21H19N2O2PS MolecularWeight: 394.426521

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNP(=S)(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C(=N\NP(=S)(C1=CC=CC=C1)C2=CC=CC=C2)/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N2O2PS/c1-16(17-12-13-20-21(14-17)25-15-24-20)22-23-26(27,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14H,15H2,1H3,(H,23,27)/b22-16+