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

Systemtic Name: 3-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanamide Openeye Name: 3-[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanylpropanamide CAS Name: 3-[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]propanamide IUPAC Name: 3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide Traditional Name: 3-[(1-p-cumenyltetrazol-5-yl)thio]propionamide Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5OS/c1-9(2)10-3-5-11(6-4-10)18-13(15-16-17-18)20-8-7-12(14)19/h3-6,9H,7-8H2,1-2H3,(H2,14,19)