naphthalen-1-ylmethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: naphthalen-1-ylmethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 1-naphthylmethyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1-naphthylmethyl ester Formula: C17H16N2O2S MolecularWeight: 312.38614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C17H16N2O2S/c1-11-15(9-18-17(22)19-11)16(20)21-10-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-10H2,1H3,(H2,18,19,22)