3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-1-cyclopropyl-prop-2-en-1-one

Systemtic Name: 3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-1-cyclopropyl-prop-2-en-1-one Openeye Name: 3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-1-cyclopropyl-prop-2-en-1-one CAS Name: 3-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-methoxyphenyl]-1-cyclopropyl-2-propen-1-one IUPAC Name: 3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-1-cyclopropylprop-2-en-1-one Traditional Name: 3-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-methoxy-phenyl]-1-cyclopropyl-prop-2-en-1-one Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2CC2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)C2CC2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H20N2O2S/c1-25-20-11-7-14(6-10-19(24)15-8-9-15)12-16(20)13-26-21-22-17-4-2-3-5-18(17)23-21/h2-7,10-12,15H,8-9,13H2,1H3,(H,22,23)