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

Systemtic Name: N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: N-[4-(isothiocyanatomethyl)thiazol-2-yl]benzamide CAS Name: N-[4-(isothiocyanatomethyl)-2-thiazolyl]benzamide IUPAC Name: N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: N-[4-(isothiocyanatomethyl)thiazol-2-yl]benzamide Formula: C12H9N3OS2 MolecularWeight: 275.34936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3OS2/c16-11(9-4-2-1-3-5-9)15-12-14-10(7-18-12)6-13-8-17/h1-5,7H,6H2,(H,14,15,16)