4-[(Z)-[3-(naphthalen-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate

Systemtic Name: 4-[(Z)-[3-(naphthalen-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Openeye Name: 4-[(Z)-[3-(1-naphthylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate CAS Name: 4-[(Z)-[3-(1-naphthalenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate IUPAC Name: 4-[(Z)-[3-(naphthalen-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Traditional Name: 4-[(Z)-[3-(1-naphthylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Formula: C21H15N4O2S- MolecularWeight: 387.4344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=NNC(=S)N3N=CC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=NNC(=S)N3/N=C\C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C21H16N4O2S/c26-20(27)16-10-8-14(9-11-16)13-22-25-19(23-24-21(25)28)12-17-6-3-5-15-4-1-2-7-18(15)17/h1-11,13H,12H2,(H,24,28)(H,26,27)/p-1/b22-13-