[(2R,5R)-3,6-diethoxy-5-(phenylmethyl)-2,5-dihydropyrazin-2-yl]methanethiol

Systemtic Name: [(2R,5R)-3,6-diethoxy-5-(phenylmethyl)-2,5-dihydropyrazin-2-yl]methanethiol Openeye Name: [(2R,5R)-5-benzyl-3,6-diethoxy-2,5-dihydropyrazin-2-yl]methanethiol CAS Name: [(2R,5R)-3,6-diethoxy-5-(phenylmethyl)-2,5-dihydropyrazin-2-yl]methanethiol IUPAC Name: [(2R,5R)-5-benzyl-3,6-diethoxy-2,5-dihydropyrazin-2-yl]methanethiol Traditional Name: [(2R,5R)-5-benzyl-3,6-diethoxy-2,5-dihydropyrazin-2-yl]methanethiol Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(C(=NC1CC2=CC=CC=C2)OCC)CS

Isomeric SMILES

CCOC1=N[C@H](C(=N[C@@H]1CC2=CC=CC=C2)OCC)CS

InChI

InChI=1S/C16H22N2O2S/c1-3-19-15-13(10-12-8-6-5-7-9-12)17-16(20-4-2)14(11-21)18-15/h5-9,13-14,21H,3-4,10-11H2,1-2H3/t13-,14+/m1/s1