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

Systemtic Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic acid Openeye Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic acid CAS Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-3-(4-prop-2-ynoxyphenyl)-2-propenoic acid IUPAC Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic acid Traditional Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-3-(4-propargyloxyphenyl)acrylic acid Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O3S/c1-3-8-21-12-6-4-11(5-7-12)9-13(14(19)20)22-15-16-10(2)17-18-15/h1,4-7,9H,8H2,2H3,(H,19,20)(H,16,17,18)