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

Systemtic Name: [2-methoxy-4-[(E)-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] benzoate Openeye Name: [2-methoxy-4-[(E)-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] benzoate CAS Name: benzoic acid [2-methoxy-4-[(E)-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] benzoate Traditional Name: benzoic acid [2-methoxy-4-[(E)-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CCCC1=NNC(=S)N1/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H20N4O3S/c1-3-7-18-22-23-20(28)24(18)21-13-14-10-11-16(17(12-14)26-2)27-19(25)15-8-5-4-6-9-15/h4-6,8-13H,3,7H2,1-2H3,(H,23,28)/b21-13+