3-[(2-azanyl-1,3-thiazol-5-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(2-azanyl-1,3-thiazol-5-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(2-aminothiazol-5-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(2-amino-5-thiazolyl)thio]methyl]benzonitrile IUPAC Name: 3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(2-aminothiazol-5-yl)thio]methyl]benzonitrile Formula: C11H9N3S2 MolecularWeight: 247.33926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=CN=C(S2)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=CN=C(S2)N)C#N

InChI

InChI=1S/C11H9N3S2/c12-5-8-2-1-3-9(4-8)7-15-10-6-14-11(13)16-10/h1-4,6H,7H2,(H2,13,14)