[6-chloranyl-2-[(4-nitrophenyl)carbamoylamino]-1,3-benzothiazol-4-yl] thiocyanate

Systemtic Name: [6-chloranyl-2-[(4-nitrophenyl)carbamoylamino]-1,3-benzothiazol-4-yl] thiocyanate Openeye Name: [6-chloro-2-[(4-nitrophenyl)carbamoylamino]-1,3-benzothiazol-4-yl] thiocyanate CAS Name: thiocyanic acid [6-chloro-2-[[(4-nitroanilino)-oxomethyl]amino]-1,3-benzothiazol-4-yl] ester IUPAC Name: [6-chloro-2-[(4-nitrophenyl)carbamoylamino]-1,3-benzothiazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [6-chloro-2-[(4-nitrophenyl)carbamoylamino]-1,3-benzothiazol-4-yl] ester Formula: C15H8ClN5O3S2 MolecularWeight: 405.83872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=NC3=C(C=C(C=C3S2)Cl)SC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=NC3=C(C=C(C=C3S2)Cl)SC#N)[N+](=O)[O-]

InChI

InChI=1S/C15H8ClN5O3S2/c16-8-5-11(25-7-17)13-12(6-8)26-15(19-13)20-14(22)18-9-1-3-10(4-2-9)21(23)24/h1-6H,(H2,18,19,20,22)