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

Systemtic Name: 3-(3-methoxy-4-methyl-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Openeye Name: 3-(3-methoxy-4-methyl-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid CAS Name: 3-(3-methoxy-4-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid IUPAC Name: 3-(3-methoxy-4-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Traditional Name: 3-(3-methoxy-4-methyl-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C(C(=O)O)SC2=NNC(=N2)C)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C=C(C(=O)O)SC2=NNC(=N2)C)OC

InChI

InChI=1S/C14H15N3O3S/c1-8-4-5-10(6-11(8)20-3)7-12(13(18)19)21-14-15-9(2)16-17-14/h4-7H,1-3H3,(H,18,19)(H,15,16,17)