2-[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl 2-methylpropanoate

Systemtic Name: 2-[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl 2-methylpropanoate Openeye Name: 2-[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]ethyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 2-[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl ester IUPAC Name: 2-[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 2-[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]ethyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S/c1-10(2)14(19)21-9-8-18-15(22)16-13(17-18)11-4-6-12(20-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,16,17,22)