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

Systemtic Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(2-propan-2-yloxyphenyl)prop-2-enoate Openeye Name: (E)-3-(2-isopropoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate CAS Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-3-(2-propan-2-yloxyphenyl)-2-propenoate IUPAC Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(2-propan-2-yloxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2-isopropoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylate Formula: C15H16N3O3S- MolecularWeight: 318.37084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=CC2=CC=CC=C2OC(C)C)C(=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)S/C(=C/C2=CC=CC=C2OC(C)C)/C(=O)[O-]

InChI

InChI=1S/C15H17N3O3S/c1-9(2)21-12-7-5-4-6-11(12)8-13(14(19)20)22-15-16-10(3)17-18-15/h4-9H,1-3H3,(H,19,20)(H,16,17,18)/p-1/b13-8+