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

Systemtic Name: 3-(4-methoxy-2-methyl-5-propan-2-yl-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Openeye Name: 3-(5-isopropyl-4-methoxy-2-methyl-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid CAS Name: 3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid IUPAC Name: 3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Traditional Name: 3-(5-isopropyl-4-methoxy-2-methyl-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylic acid Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C(=O)O)SC2=NNC(=N2)C)C(C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C=C(C(=O)O)SC2=NNC(=N2)C)C(C)C)OC

InChI

InChI=1S/C17H21N3O3S/c1-9(2)13-7-12(10(3)6-14(13)23-5)8-15(16(21)22)24-17-18-11(4)19-20-17/h6-9H,1-5H3,(H,21,22)(H,18,19,20)