ethyl (3S)-4-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]thiomorpholine-3-carboxylate

Systemtic Name: ethyl (3S)-4-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]thiomorpholine-3-carboxylate Openeye Name: ethyl (3S)-4-[(3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]thiomorpholine-3-carboxylate CAS Name: (3S)-4-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]thiomorpholine-3-carboxylate Traditional Name: (3S)-4-[(3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C19H24N4O2S2 MolecularWeight: 404.54946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CSCCN1CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C19H24N4O2S2/c1-2-25-18(24)16-12-27-11-10-21(16)13-22-19(26)23(15-6-4-3-5-7-15)17(20-22)14-8-9-14/h3-7,14,16H,2,8-13H2,1H3/t16-/m1/s1