N-[5-isothiocyanato-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N-[5-isothiocyanato-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: N-[5-isothiocyanato-4-(4-methoxyphenyl)thiazol-2-yl]acetamide CAS Name: N-[5-isothiocyanato-4-(4-methoxyphenyl)-2-thiazolyl]acetamide IUPAC Name: N-[5-isothiocyanato-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: N-[5-isothiocyanato-4-(4-methoxyphenyl)thiazol-2-yl]acetamide Formula: C13H11N3O2S2 MolecularWeight: 305.37534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=C(S1)N=C=S)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)NC1=NC(=C(S1)N=C=S)C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H11N3O2S2/c1-8(17)15-13-16-11(12(20-13)14-7-19)9-3-5-10(18-2)6-4-9/h3-6H,1-2H3,(H,15,16,17)