4-[5-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: 4-[5-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: 4-[5-[2-(1-naphthylamino)-2-oxo-ethyl]sulfanyltetrazol-1-yl]benzoate CAS Name: 4-[5-[[2-(1-naphthalenylamino)-2-oxoethyl]thio]-1-tetrazolyl]benzoate IUPAC Name: 4-[5-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate Traditional Name: 4-[5-[[2-keto-2-(1-naphthylamino)ethyl]thio]tetrazol-1-yl]benzoate Formula: C20H14N5O3S- MolecularWeight: 404.42186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C20H15N5O3S/c26-18(21-17-7-3-5-13-4-1-2-6-16(13)17)12-29-20-22-23-24-25(20)15-10-8-14(9-11-15)19(27)28/h1-11H,12H2,(H,21,26)(H,27,28)/p-1