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

Systemtic Name: 3-(3-methoxy-4-prop-2-ynoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Openeye Name: 3-(3-methoxy-4-prop-2-ynoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid CAS Name: 3-(3-methoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid IUPAC Name: 3-(3-methoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Traditional Name: 3-(3-methoxy-4-propargyloxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylic acid Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=CC2=CC(=C(C=C2)OCC#C)OC)C(=O)O

Isomeric SMILES

CC1=NC(=NN1)SC(=CC2=CC(=C(C=C2)OCC#C)OC)C(=O)O

InChI

InChI=1S/C16H15N3O4S/c1-4-7-23-12-6-5-11(8-13(12)22-3)9-14(15(20)21)24-16-17-10(2)18-19-16/h1,5-6,8-9H,7H2,2-3H3,(H,20,21)(H,17,18,19)