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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-phenyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]-N-piperonyl-propionamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H17N5O3S/c1-12(27-18-20-21-22-23(18)14-5-3-2-4-6-14)17(24)19-10-13-7-8-15-16(9-13)26-11-25-15/h2-9,12H,10-11H2,1H3,(H,19,24)