4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-phenyl-butan-1-one

Systemtic Name: 4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-phenyl-1-butanone IUPAC Name: 4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-phenyl-butan-1-one Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2OS/c1-13-9-10-15-16(12-13)20-18(19-15)22-11-5-8-17(21)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,20)