N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-4-methyl-benzamide

Systemtic Name: N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-4-methyl-benzamide Openeye Name: N-[4-(isothiocyanatomethyl)thiazol-2-yl]-4-methyl-benzamide CAS Name: N-[4-(isothiocyanatomethyl)-2-thiazolyl]-4-methylbenzamide IUPAC Name: N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-4-methylbenzamide Traditional Name: N-[4-(isothiocyanatomethyl)thiazol-2-yl]-4-methyl-benzamide Formula: C13H11N3OS2 MolecularWeight: 289.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CN=C=S

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CN=C=S

InChI

InChI=1S/C13H11N3OS2/c1-9-2-4-10(5-3-9)12(17)16-13-15-11(7-19-13)6-14-8-18/h2-5,7H,6H2,1H3,(H,15,16,17)