1,6-dithiecan-3-yl 4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: 1,6-dithiecan-3-yl 4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: 1,6-dithiecan-3-yl 4-(5-thioxo-2H-tetrazol-1-yl)benzoate CAS Name: 4-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid 1,6-dithiecan-3-yl ester IUPAC Name: 1,6-dithiecan-3-yl 4-(5-sulfanylidene-2H-tetrazol-1-yl)benzoate Traditional Name: 4-(5-thioxo-2H-tetrazol-1-yl)benzoic acid 1,6-dithiecan-3-yl ester Formula: C16H20N4O2S3 MolecularWeight: 396.5506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSCC(CCSC1)OC(=O)C2=CC=C(C=C2)N3C(=S)N=NN3

Isomeric SMILES

C1CCSCC(CCSC1)OC(=O)C2=CC=C(C=C2)N3C(=S)N=NN3

InChI

InChI=1S/C16H20N4O2S3/c21-15(22-14-7-10-24-8-1-2-9-25-11-14)12-3-5-13(6-4-12)20-16(23)17-18-19-20/h3-6,14H,1-2,7-11H2,(H,17,19,23)