octadecyl 2,3-dimethyl-4-sulfanylidene-4-(1,3,5-triazin-2-yl)butanoate

Systemtic Name: octadecyl 2,3-dimethyl-4-sulfanylidene-4-(1,3,5-triazin-2-yl)butanoate Openeye Name: octadecyl 2,3-dimethyl-4-thioxo-4-(1,3,5-triazin-2-yl)butanoate CAS Name: 2,3-dimethyl-4-sulfanylidene-4-(1,3,5-triazin-2-yl)butanoic acid octadecyl ester IUPAC Name: octadecyl 2,3-dimethyl-4-sulfanylidene-4-(1,3,5-triazin-2-yl)butanoate Traditional Name: 2,3-dimethyl-4-(s-triazin-2-yl)-4-thioxo-butyric acid stearyl ester Formula: C27H47N3O2S MolecularWeight: 477.74598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C)C(C)C(=S)C1=NC=NC=N1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)C(C)C(=S)C1=NC=NC=N1

InChI

InChI=1S/C27H47N3O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32-27(31)24(3)23(2)25(33)26-29-21-28-22-30-26/h21-24H,4-20H2,1-3H3