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

Systemtic Name: 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-[(4-methoxyphenyl)-phenyl-methyl]propanamide Openeye Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)-phenyl-methyl]propanamide CAS Name: 2-[(1-tert-butyl-5-tetrazolyl)thio]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide IUPAC Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)-phenylmethyl]propanamide Traditional Name: 2-[(1-tert-butyltetrazol-5-yl)thio]-N-[(4-methoxyphenyl)-phenyl-methyl]propionamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=C(C=C2)OC)SC3=NN=NN3C(C)(C)C

Isomeric SMILES

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=C(C=C2)OC)SC3=NN=NN3C(C)(C)C

InChI

InChI=1S/C22H27N5O2S/c1-15(30-21-24-25-26-27(21)22(2,3)4)20(28)23-19(16-9-7-6-8-10-16)17-11-13-18(29-5)14-12-17/h6-15,19H,1-5H3,(H,23,28)