methyl (2R)-4-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate

Systemtic Name: methyl (2R)-4-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C18H23N4O2S2+ MolecularWeight: 391.53082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH+](CCS1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C

Isomeric SMILES

COC(=O)[C@H]1C[NH+](CCS1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C18H22N4O2S2/c1-3-9-21-16(14-7-5-4-6-8-14)19-22(18(21)25)13-20-10-11-26-15(12-20)17(23)24-2/h3-8,15H,1,9-13H2,2H3/p+1/t15-/m1/s1