S-[(1-phenyl-1,2,3,4-tetrazol-5-yl)] N-butylcarbamothioate

Systemtic Name: S-[(1-phenyl-1,2,3,4-tetrazol-5-yl)] N-butylcarbamothioate Openeye Name: S-(1-phenyltetrazol-5-yl) N-butylcarbamothioate CAS Name: N-butylcarbamothioic acid S-[(1-phenyl-5-tetrazolyl)] ester IUPAC Name: S-(1-phenyltetrazol-5-yl) N-butylcarbamothioate Traditional Name: N-butylthiocarbamic acid S-(1-phenyltetrazol-5-yl) ester Formula: C12H15N5OS MolecularWeight: 277.3454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)SC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)SC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C12H15N5OS/c1-2-3-9-13-12(18)19-11-14-15-16-17(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,18)