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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1-phenyltetrazol-5-yl)sulfanyl-propan-1-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(1-phenyl-5-tetrazolyl)thio]-1-propanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine Traditional Name: 3-[(1-phenyltetrazol-5-yl)thio]propyl-piperonyl-amine Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCCCSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCCCSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H19N5O2S/c1-2-5-15(6-3-1)23-18(20-21-22-23)26-10-4-9-19-12-14-7-8-16-17(11-14)25-13-24-16/h1-3,5-8,11,19H,4,9-10,12-13H2