octyl N-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]carbamate

Systemtic Name: octyl N-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]carbamate Openeye Name: octyl N-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]carbamate CAS Name: N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]carbamic acid octyl ester IUPAC Name: octyl N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]carbamate Traditional Name: N-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]carbamic acid octyl ester Formula: C16H23N5O2S MolecularWeight: 349.45112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1=CC=CC(=C1)N2C(=S)N=NN2

Isomeric SMILES

CCCCCCCCOC(=O)NC1=CC=CC(=C1)N2C(=S)N=NN2

InChI

InChI=1S/C16H23N5O2S/c1-2-3-4-5-6-7-11-23-16(22)17-13-9-8-10-14(12-13)21-15(24)18-19-20-21/h8-10,12H,2-7,11H2,1H3,(H,17,22)(H,18,20,24)