butyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate

Systemtic Name: butyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: butyl 2-[(E)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid butyl ester IUPAC Name: butyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 2-[(E)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid butyl ester Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C=NN2C(=NNC2=S)C

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1/C=N/N2C(=NNC2=S)C

InChI

InChI=1S/C15H18N4O2S/c1-3-4-9-21-14(20)13-8-6-5-7-12(13)10-16-19-11(2)17-18-15(19)22/h5-8,10H,3-4,9H2,1-2H3,(H,18,22)/b16-10+