5-(1,3-benzodioxol-4-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-4-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-4-ylmethylamino)-2-(2-thienyl)oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-4-ylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-4-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile Traditional Name: 5-(1,3-benzodioxol-4-ylmethylamino)-2-(2-thienyl)oxazole-4-carbonitrile Formula: C16H11N3O3S MolecularWeight: 325.34184

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)CNC3=C(N=C(O3)C4=CC=CS4)C#N

Isomeric SMILES

C1OC2=CC=CC(=C2O1)CNC3=C(N=C(O3)C4=CC=CS4)C#N

InChI

InChI=1S/C16H11N3O3S/c17-7-11-15(22-16(19-11)13-5-2-6-23-13)18-8-10-3-1-4-12-14(10)21-9-20-12/h1-6,18H,8-9H2