3-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanamide

Systemtic Name: 3-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanamide Openeye Name: 3-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylpropanamide CAS Name: 3-[[1-(4-butylphenyl)-5-tetrazolyl]thio]propanamide IUPAC Name: 3-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylpropanamide Traditional Name: 3-[[1-(4-butylphenyl)tetrazol-5-yl]thio]propionamide Formula: C14H19N5OS MolecularWeight: 305.39856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCCC(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCCC(=O)N

InChI

InChI=1S/C14H19N5OS/c1-2-3-4-11-5-7-12(8-6-11)19-14(16-17-18-19)21-10-9-13(15)20/h5-8H,2-4,9-10H2,1H3,(H2,15,20)