6-[(E)-1-(4-methylsulfanylphenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine

Systemtic Name: 6-[(E)-1-(4-methylsulfanylphenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine Openeye Name: 1-isopropylsulfonyl-6-[(E)-1-(4-methylsulfanylphenyl)but-1-en-3-ynyl]benzimidazol-2-amine CAS Name: 6-[(E)-1-[4-(methylthio)phenyl]but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-2-benzimidazolamine IUPAC Name: 6-[(E)-1-(4-methylsulfanylphenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine Traditional Name: [1-isopropylsulfonyl-6-[(E)-1-[4-(methylthio)phenyl]but-1-en-3-ynyl]benzimidazol-2-yl]amine Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=CC#C)C3=CC=C(C=C3)SC)N=C1N

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)/C(=C/C#C)/C3=CC=C(C=C3)SC)N=C1N

InChI

InChI=1S/C21H21N3O2S2/c1-5-6-18(15-7-10-17(27-4)11-8-15)16-9-12-19-20(13-16)24(21(22)23-19)28(25,26)14(2)3/h1,6-14H,2-4H3,(H2,22,23)/b18-6+