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

Systemtic Name: N-(4-tert-butylphenyl)-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(4-tert-butylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(4-tert-butylphenyl)-3-[(1-phenyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(4-tert-butylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide Traditional Name: N-(4-tert-butylphenyl)-3-[(1-phenyltetrazol-5-yl)thio]propionamide Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CCSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CCSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C20H23N5OS/c1-20(2,3)15-9-11-16(12-10-15)21-18(26)13-14-27-19-22-23-24-25(19)17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,21,26)