3-(3-chloranyl-5-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-chloranyl-5-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-chloro-5-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-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid IUPAC Name: 3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Traditional Name: 3-(3-chloro-5-methoxy-4-propargyloxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylic acid Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O4S/c1-4-5-24-14-11(17)6-10(7-12(14)23-3)8-13(15(21)22)25-16-18-9(2)19-20-16/h1,6-8H,5H2,2-3H3,(H,21,22)(H,18,19,20)