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

Systemtic Name: 6-methyl-2-[(4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]-1,2,4-triazine-3,5-dione Openeye Name: 2-[(4S,5R)-4-benzyloxy-5-(benzyloxymethyl)tetrahydrothiophen-2-yl]-6-methyl-1,2,4-triazine-3,5-dione CAS Name: 6-methyl-2-[(4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-2-thiolanyl]-1,2,4-triazine-3,5-dione IUPAC Name: 6-methyl-2-[(4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]-1,2,4-triazine-3,5-dione Traditional Name: 2-[(4S,5R)-4-benzoxy-5-(benzoxymethyl)tetrahydrothiophen-2-yl]-6-methyl-1,2,4-triazine-3,5-quinone Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)NC1=O)C2CC(C(S2)COCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)NC1=O)C2C[C@@H]([C@H](S2)COCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O4S/c1-16-22(27)24-23(28)26(25-16)21-12-19(30-14-18-10-6-3-7-11-18)20(31-21)15-29-13-17-8-4-2-5-9-17/h2-11,19-21H,12-15H2,1H3,(H,24,27,28)/t19-,20+,21?/m0/s1