1H-benzimidazol-2-yl-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-prop-2-ynyl-sulfanium

Systemtic Name: 1H-benzimidazol-2-yl-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-prop-2-ynyl-sulfanium Openeye Name: 1H-benzimidazol-2-yl-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-prop-2-ynyl-sulfonium CAS Name: 1H-benzimidazol-2-yl-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]-prop-2-ynylsulfonium IUPAC Name: 1H-benzimidazol-2-yl-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-prop-2-ynylsulfanium Traditional Name: 1H-benzimidazol-2-yl-[(E)-3-(4-methoxyphenyl)acryloyl]-propargyl-sulfonium Formula: C20H17N2O2S+ MolecularWeight: 349.42618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)[S+](CC#C)C2=NC3=CC=CC=C3N2

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)[S+](CC#C)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H17N2O2S/c1-3-14-25(20-21-17-6-4-5-7-18(17)22-20)19(23)13-10-15-8-11-16(24-2)12-9-15/h1,4-13H,14H2,2H3,(H,21,22)/q+1/b13-10+