2-[3-(1,3-benzodioxol-5-ylmethylamino)propyl-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)amino]ethanenitrile

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethylamino)propyl-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)amino]ethanenitrile Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethylamino)propyl-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)amino]acetonitrile CAS Name: 2-[3-(1,3-benzodioxol-5-ylmethylamino)propyl-[3-(1-imidazolyl)-1,2,4-thiadiazol-5-yl]amino]acetonitrile IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethylamino)propyl-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)amino]acetonitrile Traditional Name: 2-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-[3-(piperonylamino)propyl]amino]acetonitrile Formula: C18H19N7O2S MolecularWeight: 397.45416

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCCCN(CC#N)C3=NC(=NS3)N4C=CN=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCCCN(CC#N)C3=NC(=NS3)N4C=CN=C4

InChI

InChI=1S/C18H19N7O2S/c19-4-8-24(18-22-17(23-28-18)25-9-6-21-12-25)7-1-5-20-11-14-2-3-15-16(10-14)27-13-26-15/h2-3,6,9-10,12,20H,1,5,7-8,11,13H2