2-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethyl 2-methylpropanoate

Systemtic Name: 2-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethyl 2-methylpropanoate Openeye Name: 2-(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)ethyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 2-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethyl ester IUPAC Name: 2-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 2-(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)ethyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCCN1C(=S)N=C(N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(=O)OCCN1C(=S)N=C(N1)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O2S/c1-10(2)13(18)19-9-8-17-14(20)15-12(16-17)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,16,20)