N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-tert-butyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylpropanamide Traditional Name: 2-[(1-tert-butyltetrazol-5-yl)thio]-N-piperonyl-propionamide Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=NN3C(C)(C)C

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=NN3C(C)(C)C

InChI

InChI=1S/C16H21N5O3S/c1-10(25-15-18-19-20-21(15)16(2,3)4)14(22)17-8-11-5-6-12-13(7-11)24-9-23-12/h5-7,10H,8-9H2,1-4H3,(H,17,22)