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

Systemtic Name: (Z)-3-(3-bromanyl-4-phenylmethoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Openeye Name: (Z)-3-(4-benzyloxy-3-bromo-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate CAS Name: (Z)-3-(3-bromo-4-phenylmethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoate IUPAC Name: (Z)-3-(3-bromo-4-phenylmethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Traditional Name: (Z)-3-(4-benzoxy-3-bromo-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylate Formula: C19H15BrN3O3S- MolecularWeight: 445.3097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)Br)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3O3S/c1-12-21-19(23-22-12)27-17(18(24)25)10-14-7-8-16(15(20)9-14)26-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,24,25)(H,21,22,23)/p-1/b17-10-