1,5-dithiocan-3-yl 4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: 1,5-dithiocan-3-yl 4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: 1,5-dithiocan-3-yl 4-(5-thioxo-2H-tetrazol-1-yl)benzoate CAS Name: 4-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid 1,5-dithiocan-3-yl ester IUPAC Name: 1,5-dithiocan-3-yl 4-(5-sulfanylidene-2H-tetrazol-1-yl)benzoate Traditional Name: 4-(5-thioxo-2H-tetrazol-1-yl)benzoic acid 1,5-dithiocan-3-yl ester Formula: C14H16N4O2S3 MolecularWeight: 368.49744

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(CSC1)OC(=O)C2=CC=C(C=C2)N3C(=S)N=NN3

Isomeric SMILES

C1CSCC(CSC1)OC(=O)C2=CC=C(C=C2)N3C(=S)N=NN3

InChI

InChI=1S/C14H16N4O2S3/c19-13(20-12-8-22-6-1-7-23-9-12)10-2-4-11(5-3-10)18-14(21)15-16-17-18/h2-5,12H,1,6-9H2,(H,15,17,21)