[4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] furan-2-carboxylate

Systemtic Name: [4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] furan-2-carboxylate Openeye Name: [4-[(Z)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(Z)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=S)N1N=CC2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC

Isomeric SMILES

CC(C)(C)C1=NNC(=S)N1/N=C\C2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC

InChI

InChI=1S/C19H20N4O4S/c1-19(2,3)17-21-22-18(28)23(17)20-11-12-7-8-13(15(10-12)25-4)27-16(24)14-6-5-9-26-14/h5-11H,1-4H3,(H,22,28)/b20-11-