(Z)-4-[2-butyl-1-(phenylmethyl)imidazol-4-yl]-3-phenylsulfanyl-but-3-enoic acid

Systemtic Name: (Z)-4-[2-butyl-1-(phenylmethyl)imidazol-4-yl]-3-phenylsulfanyl-but-3-enoic acid Openeye Name: (Z)-4-(1-benzyl-2-butyl-imidazol-4-yl)-3-phenylsulfanyl-but-3-enoic acid CAS Name: (Z)-4-[2-butyl-1-(phenylmethyl)-4-imidazolyl]-3-(phenylthio)-3-butenoic acid IUPAC Name: (Z)-4-(1-benzyl-2-butylimidazol-4-yl)-3-phenylsulfanylbut-3-enoic acid Traditional Name: (Z)-4-(1-benzyl-2-butyl-imidazol-4-yl)-3-(phenylthio)but-3-enoic acid Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CC2=CC=CC=C2)C=C(CC(=O)O)SC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NC(=CN1CC2=CC=CC=C2)/C=C(/CC(=O)O)\SC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O2S/c1-2-3-14-23-25-20(18-26(23)17-19-10-6-4-7-11-19)15-22(16-24(27)28)29-21-12-8-5-9-13-21/h4-13,15,18H,2-3,14,16-17H2,1H3,(H,27,28)/b22-15-