[1-[(Z)-(methylcarbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 3-nitrobenzoate

Systemtic Name: [1-[(Z)-(methylcarbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 3-nitrobenzoate Openeye Name: [1-[(Z)-(methylcarbamothioylhydrazono)methyl]-2-naphthyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-[(Z)-[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(Z)-(methylcarbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [1-[(Z)-(methylthiocarbamoylhydrazono)methyl]-2-naphthyl] ester Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CC1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)N/N=C\C1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O4S/c1-21-20(29)23-22-12-17-16-8-3-2-5-13(16)9-10-18(17)28-19(25)14-6-4-7-15(11-14)24(26)27/h2-12H,1H3,(H2,21,23,29)/b22-12-