(Z)-3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate

Systemtic Name: (Z)-3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Openeye Name: (Z)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate CAS Name: (Z)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoate IUPAC Name: (Z)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Traditional Name: (Z)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylate Formula: C15H15BrN3O4S- MolecularWeight: 413.2663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C(C(=O)[O-])SC2=NNC(=N2)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C(/C(=O)[O-])\SC2=NNC(=N2)C)OC

InChI

InChI=1S/C15H16BrN3O4S/c1-4-23-13-10(16)5-9(6-11(13)22-3)7-12(14(20)21)24-15-17-8(2)18-19-15/h5-7H,4H2,1-3H3,(H,20,21)(H,17,18,19)/p-1/b12-7-