S-(6-nitro-1H-benzimidazol-2-yl) 2-chloranylbenzenecarbothioate

Systemtic Name: S-(6-nitro-1H-benzimidazol-2-yl) 2-chloranylbenzenecarbothioate Openeye Name: S-(6-nitro-1H-benzimidazol-2-yl) 2-chlorobenzenecarbothioate CAS Name: 2-chlorobenzenecarbothioic acid S-(6-nitro-1H-benzimidazol-2-yl) ester IUPAC Name: S-(6-nitro-1H-benzimidazol-2-yl) 2-chlorobenzenecarbothioate Traditional Name: 2-chlorothiobenzoic acid S-(6-nitro-1H-benzimidazol-2-yl) ester Formula: C14H8ClN3O3S MolecularWeight: 333.74962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H8ClN3O3S/c15-10-4-2-1-3-9(10)13(19)22-14-16-11-6-5-8(18(20)21)7-12(11)17-14/h1-7H,(H,16,17)