(2S)-2-(3-methylphenoxy)-N-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanimidate

Systemtic Name: (2S)-2-(3-methylphenoxy)-N-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanimidate Openeye Name: (2S)-2-(3-methylphenoxy)-N-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)propanimidate CAS Name: (2S)-2-(3-methylphenoxy)-N-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanimidate IUPAC Name: (2S)-2-(3-methylphenoxy)-N-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanimidate Traditional Name: (2S)-2-(3-methylphenoxy)-N-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionimidate Formula: C18H17N4O2S- MolecularWeight: 353.41818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=NN2C(=NNC2=S)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)O[C@@H](C)C(=NN2C(=NNC2=S)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H18N4O2S/c1-12-7-6-10-15(11-12)24-13(2)17(23)21-22-16(19-20-18(22)25)14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H,20,25)(H,21,23)/p-1/t13-/m0/s1