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

Systemtic Name: [4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] furan-2-carboxylate Openeye Name: [4-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C3CC3)OC(=O)C4=CC=CO4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\N2C(=NNC2=S)C3CC3)OC(=O)C4=CC=CO4

InChI

InChI=1S/C18H16N4O4S/c1-24-15-9-11(4-7-13(15)26-17(23)14-3-2-8-25-14)10-19-22-16(12-5-6-12)20-21-18(22)27/h2-4,7-10,12H,5-6H2,1H3,(H,21,27)/b19-10-