2-[5-(2-azanyl-1,3-thiazol-4-yl)-2-methoxy-phenyl]ethanenitrile

Systemtic Name: 2-[5-(2-azanyl-1,3-thiazol-4-yl)-2-methoxy-phenyl]ethanenitrile Openeye Name: 2-[5-(2-aminothiazol-4-yl)-2-methoxy-phenyl]acetonitrile CAS Name: 2-[5-(2-amino-4-thiazolyl)-2-methoxyphenyl]acetonitrile IUPAC Name: 2-[5-(2-amino-1,3-thiazol-4-yl)-2-methoxyphenyl]acetonitrile Traditional Name: 2-[5-(2-aminothiazol-4-yl)-2-methoxy-phenyl]acetonitrile Formula: C12H11N3OS MolecularWeight: 245.30024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)N)CC#N

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)N)CC#N

InChI

InChI=1S/C12H11N3OS/c1-16-11-3-2-8(6-9(11)4-5-13)10-7-17-12(14)15-10/h2-3,6-7H,4H2,1H3,(H2,14,15)