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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-phenyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanamine Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]ethyl-piperonyl-amine Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCCSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCCSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H17N5O2S/c1-2-4-14(5-3-1)22-17(19-20-21-22)25-9-8-18-11-13-6-7-15-16(10-13)24-12-23-15/h1-7,10,18H,8-9,11-12H2