(Z)-3-[4-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

Systemtic Name: (Z)-3-[4-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Openeye Name: (Z)-3-[4-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid CAS Name: (Z)-3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid IUPAC Name: (Z)-3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Traditional Name: (Z)-3-[4-(4-bromobenzyl)oxy-3-methoxy-phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylic acid Formula: C20H18BrN3O4S MolecularWeight: 476.34362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)Br)OC)C(=O)O

Isomeric SMILES

CC1=NC(=NN1)S/C(=C\C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Br)OC)/C(=O)O

InChI

InChI=1S/C20H18BrN3O4S/c1-12-22-20(24-23-12)29-18(19(25)26)10-14-5-8-16(17(9-14)27-2)28-11-13-3-6-15(21)7-4-13/h3-10H,11H2,1-2H3,(H,25,26)(H,22,23,24)/b18-10-