3-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(2-amino-4-methyl-thiazol-5-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(2-amino-4-methyl-5-thiazolyl)thio]methyl]benzonitrile IUPAC Name: 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(2-amino-4-methyl-thiazol-5-yl)thio]methyl]benzonitrile Formula: C12H11N3S2 MolecularWeight: 261.36584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=C(SC(=N1)N)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H11N3S2/c1-8-11(17-12(14)15-8)16-7-10-4-2-3-9(5-10)6-13/h2-5H,7H2,1H3,(H2,14,15)