N-octadecyl-3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzamide

Systemtic Name: N-octadecyl-3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzamide Openeye Name: N-octadecyl-3-(5-thioxo-2H-tetrazol-1-yl)benzamide CAS Name: N-octadecyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)benzamide IUPAC Name: N-octadecyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)benzamide Traditional Name: N-stearyl-3-(5-thioxo-2H-tetrazol-1-yl)benzamide Formula: C26H43N5OS MolecularWeight: 473.71752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)N2C(=S)N=NN2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)N2C(=S)N=NN2

InChI

InChI=1S/C26H43N5OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-25(32)23-19-18-20-24(22-23)31-26(33)28-29-30-31/h18-20,22H,2-17,21H2,1H3,(H,27,32)(H,28,30,33)