(E)-3-(4-methoxycarbonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate

Systemtic Name: (E)-3-(4-methoxycarbonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Openeye Name: (E)-3-(4-methoxycarbonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate CAS Name: (E)-3-(4-methoxycarbonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoate IUPAC Name: (E)-3-(4-methoxycarbonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Traditional Name: (E)-3-(4-carbomethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylate Formula: C14H12N3O4S- MolecularWeight: 318.32778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=CC2=CC=C(C=C2)C(=O)OC)C(=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)S/C(=C/C2=CC=C(C=C2)C(=O)OC)/C(=O)[O-]

InChI

InChI=1S/C14H13N3O4S/c1-8-15-14(17-16-8)22-11(12(18)19)7-9-3-5-10(6-4-9)13(20)21-2/h3-7H,1-2H3,(H,18,19)(H,15,16,17)/p-1/b11-7+