(E)-3-(2-phenyl-1,2,3-triazol-4-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(2-phenyl-1,2,3-triazol-4-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(2-phenyltriazol-4-yl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(2-phenyl-4-triazolyl)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(2-phenyltriazol-4-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(2-phenyltriazol-4-yl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylic acid Formula: C19H18N4O4S2 MolecularWeight: 430.50062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)C(=CC3=NN(N=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=NN(N=C3)C4=CC=CC=C4)/C(=O)O

InChI

InChI=1S/C19H18N4O4S2/c24-19(25)16(12-14-13-20-23(21-14)15-6-2-1-3-7-15)17-8-9-18(28-17)29(26,27)22-10-4-5-11-22/h1-3,6-9,12-13H,4-5,10-11H2,(H,24,25)/b16-12-