[4-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] benzoate

Systemtic Name: [4-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] benzoate Openeye Name: [4-[(E)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CCC1=NNC(=S)N1/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C19H18N4O3S/c1-3-17-21-22-19(27)23(17)20-12-13-9-10-15(16(11-13)25-2)26-18(24)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,22,27)/b20-12+