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

Systemtic Name: 2-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-methyl-N-phenyl-propanamide Openeye Name: 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenyl-propanamide CAS Name: 2-[[1-(4-butylphenyl)-5-tetrazolyl]thio]-N-methyl-N-phenylpropanamide IUPAC Name: 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide Traditional Name: 2-[[1-(4-butylphenyl)tetrazol-5-yl]thio]-N-methyl-N-phenyl-propionamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SC(C)C(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SC(C)C(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5OS/c1-4-5-9-17-12-14-19(15-13-17)26-21(22-23-24-26)28-16(2)20(27)25(3)18-10-7-6-8-11-18/h6-8,10-16H,4-5,9H2,1-3H3