2-[(4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]-6-propyl-1,2,4-triazine-3,5-dione

Systemtic Name: 2-[(4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]-6-propyl-1,2,4-triazine-3,5-dione Openeye Name: 2-[(4S,5R)-4-benzyloxy-5-(benzyloxymethyl)tetrahydrothiophen-2-yl]-6-propyl-1,2,4-triazine-3,5-dione CAS Name: 2-[(4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-2-thiolanyl]-6-propyl-1,2,4-triazine-3,5-dione IUPAC Name: 2-[(4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]-6-propyl-1,2,4-triazine-3,5-dione Traditional Name: 2-[(4S,5R)-4-benzoxy-5-(benzoxymethyl)tetrahydrothiophen-2-yl]-6-propyl-1,2,4-triazine-3,5-quinone Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)NC1=O)C2CC(C(S2)COCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCC1=NN(C(=O)NC1=O)C2C[C@@H]([C@H](S2)COCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4S/c1-2-9-20-24(29)26-25(30)28(27-20)23-14-21(32-16-19-12-7-4-8-13-19)22(33-23)17-31-15-18-10-5-3-6-11-18/h3-8,10-13,21-23H,2,9,14-17H2,1H3,(H,26,29,30)/t21-,22+,23?/m0/s1