3-[2-cyanoethyl-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]amino]propionitrile Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)O2)CN(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)O2)CN(CCC#N)CCC#N

InChI

InChI=1S/C14H14N4OS/c15-7-3-9-17(10-4-8-16)11-18-12-5-1-2-6-13(12)19-14(18)20/h1-2,5-6H,3-4,9-11H2