[4-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate

Systemtic Name: [4-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [4-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [4-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetyl]amino]phenyl] ester Formula: C16H11N5O3S2 MolecularWeight: 385.42024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])SC#N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])SC#N

InChI

InChI=1S/C16H11N5O3S2/c17-9-26-12-4-1-10(2-5-12)18-15(22)8-25-16-19-13-6-3-11(21(23)24)7-14(13)20-16/h1-7H,8H2,(H,18,22)(H,19,20)