3-[3-(3,4-dimethylphenyl)sulfanylpropyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-(3,4-dimethylphenyl)sulfanylpropyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-(3,4-dimethylphenyl)sulfanylpropyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(3,4-dimethylphenyl)thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-(3,4-dimethylphenyl)sulfanylpropyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(3,4-dimethylphenyl)thio]propyl]-1H-benzimidazol-2-one Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCCN2C3=CC=CC=C3NC2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCCN2C3=CC=CC=C3NC2=O)C

InChI

InChI=1S/C18H20N2OS/c1-13-8-9-15(12-14(13)2)22-11-5-10-20-17-7-4-3-6-16(17)19-18(20)21/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,19,21)