S-(6-oxidanylidene-1,3,5-triphenyl-2-sulfanylidene-pyrimidin-4-yl) 4-methylbenzenecarbothioate

Systemtic Name: S-(6-oxidanylidene-1,3,5-triphenyl-2-sulfanylidene-pyrimidin-4-yl) 4-methylbenzenecarbothioate Openeye Name: S-(6-oxo-1,3,5-triphenyl-2-thioxo-pyrimidin-4-yl) 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-(6-oxo-1,3,5-triphenyl-2-sulfanylidene-4-pyrimidinyl) ester IUPAC Name: S-(6-oxo-1,3,5-triphenyl-2-sulfanylidenepyrimidin-4-yl) 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-(6-keto-1,3,5-triphenyl-2-thioxo-pyrimidin-4-yl) ester Formula: C30H22N2O2S2 MolecularWeight: 506.63788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H22N2O2S2/c1-21-17-19-23(20-18-21)29(34)36-28-26(22-11-5-2-6-12-22)27(33)31(24-13-7-3-8-14-24)30(35)32(28)25-15-9-4-10-16-25/h2-20H,1H3