S-nonyl 4-(1H-benzimidazol-2-yl)-3-bromanyl-benzenecarbothioate

Systemtic Name: S-nonyl 4-(1H-benzimidazol-2-yl)-3-bromanyl-benzenecarbothioate Openeye Name: S-nonyl 4-(1H-benzimidazol-2-yl)-3-bromo-benzenecarbothioate CAS Name: 4-(1H-benzimidazol-2-yl)-3-bromobenzenecarbothioic acid S-nonyl ester IUPAC Name: S-nonyl 4-(1H-benzimidazol-2-yl)-3-bromobenzenecarbothioate Traditional Name: 4-(1H-benzimidazol-2-yl)-3-bromo-thiobenzoic acid S-nonyl ester Formula: C23H27BrN2OS MolecularWeight: 459.44228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC(=O)C1=CC(=C(C=C1)C2=NC3=CC=CC=C3N2)Br

Isomeric SMILES

CCCCCCCCCSC(=O)C1=CC(=C(C=C1)C2=NC3=CC=CC=C3N2)Br

InChI

InChI=1S/C23H27BrN2OS/c1-2-3-4-5-6-7-10-15-28-23(27)17-13-14-18(19(24)16-17)22-25-20-11-8-9-12-21(20)26-22/h8-9,11-14,16H,2-7,10,15H2,1H3,(H,25,26)