methyl 4-[5-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]furan-2-yl]benzoate

Systemtic Name: methyl 4-[5-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]-2-furyl]benzoate CAS Name: 4-[5-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]-2-furyl]benzoic acid methyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1NCC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NNC(=S)N1NCC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C16H16N4O3S/c1-10-18-19-16(24)20(10)17-9-13-7-8-14(23-13)11-3-5-12(6-4-11)15(21)22-2/h3-8,17H,9H2,1-2H3,(H,19,24)