ethyl 2-methyl-5-(5-sulfanylidene-1,2-dihydro-1,2,3-triazol-4-yl)pentanoate

Systemtic Name: ethyl 2-methyl-5-(5-sulfanylidene-1,2-dihydro-1,2,3-triazol-4-yl)pentanoate Openeye Name: ethyl 2-methyl-5-(5-thioxo-1,2-dihydrotriazol-4-yl)pentanoate CAS Name: 2-methyl-5-(5-sulfanylidene-1,2-dihydrotriazol-4-yl)pentanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-(5-sulfanylidene-1,2-dihydrotriazol-4-yl)pentanoate Traditional Name: 2-methyl-5-(5-thioxo-1,2-dihydrotriazol-4-yl)valeric acid ethyl ester Formula: C10H17N3O2S MolecularWeight: 243.32588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CCCC1=NNNC1=S

Isomeric SMILES

CCOC(=O)C(C)CCCC1=NNNC1=S

InChI

InChI=1S/C10H17N3O2S/c1-3-15-10(14)7(2)5-4-6-8-9(16)12-13-11-8/h7H,3-6H2,1-2H3,(H2,11,12,13,16)