methyl (E)-4-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]but-2-enoate

Systemtic Name: methyl (E)-4-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]but-2-enoate Openeye Name: methyl (E)-4-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]but-2-enoate CAS Name: (E)-4-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]but-2-enoate Traditional Name: (E)-4-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]but-2-enoic acid methyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

COC(=O)/C=C/CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C17H15N3O3S/c1-22-15(21)10-6-12-24-17-19-18-16(14-9-5-11-23-14)20(17)13-7-3-2-4-8-13/h2-11H,12H2,1H3/b10-6+