[2-[(3-bromophenyl)carbonylamino]-1,3-benzothiazol-6-yl] thiocyanate

Systemtic Name: [2-[(3-bromophenyl)carbonylamino]-1,3-benzothiazol-6-yl] thiocyanate Openeye Name: [2-[(3-bromobenzoyl)amino]-1,3-benzothiazol-6-yl] thiocyanate CAS Name: thiocyanic acid [2-[[(3-bromophenyl)-oxomethyl]amino]-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-[(3-bromobenzoyl)amino]-1,3-benzothiazol-6-yl] thiocyanate Traditional Name: thiocyanic acid [2-[(3-bromobenzoyl)amino]-1,3-benzothiazol-6-yl] ester Formula: C15H8BrN3OS2 MolecularWeight: 390.27752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)NC2=NC3=C(S2)C=C(C=C3)SC#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)NC2=NC3=C(S2)C=C(C=C3)SC#N

InChI

InChI=1S/C15H8BrN3OS2/c16-10-3-1-2-9(6-10)14(20)19-15-18-12-5-4-11(21-8-17)7-13(12)22-15/h1-7H,(H,18,19,20)