3-[(2-azanyl-1,3-thiazol-4-yl)methylsulfanyl]propanenitrile

Systemtic Name: 3-[(2-azanyl-1,3-thiazol-4-yl)methylsulfanyl]propanenitrile Openeye Name: 3-[(2-aminothiazol-4-yl)methylsulfanyl]propanenitrile CAS Name: 3-[(2-amino-4-thiazolyl)methylthio]propanenitrile IUPAC Name: 3-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]propanenitrile Traditional Name: 3-[(2-aminothiazol-4-yl)methylthio]propionitrile Formula: C7H9N3S2 MolecularWeight: 199.29646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(S1)N)CSCCC#N

Isomeric SMILES

C1=C(N=C(S1)N)CSCCC#N

InChI

InChI=1S/C7H9N3S2/c8-2-1-3-11-4-6-5-12-7(9)10-6/h5H,1,3-4H2,(H2,9,10)