[2-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]-1,3-benzothiazol-6-yl] thiocyanate

Systemtic Name: [2-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]-1,3-benzothiazol-6-yl] thiocyanate Openeye Name: [2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-1,3-benzothiazol-6-yl] thiocyanate CAS Name: thiocyanic acid [2-[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]amino]-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-benzothiazol-6-yl] thiocyanate Traditional Name: thiocyanic acid [2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-1,3-benzothiazol-6-yl] ester Formula: C17H12ClN3O2S2 MolecularWeight: 389.87908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)SC#N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)SC#N

InChI

InChI=1S/C17H12ClN3O2S2/c1-10-6-11(18)2-5-14(10)23-8-16(22)21-17-20-13-4-3-12(24-9-19)7-15(13)25-17/h2-7H,8H2,1H3,(H,20,21,22)