2-(4-methylphenoxy)ethyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: 2-(4-methylphenoxy)ethyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: 2-(4-methylphenoxy)ethyl 4-(5-methylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)benzoate CAS Name: 4-[5-(methylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoic acid 2-(4-methylphenoxy)ethyl ester IUPAC Name: 2-(4-methylphenoxy)ethyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Traditional Name: 4-[5-(methylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]benzoic acid 2-(4-methylphenoxy)ethyl ester Formula: C19H18N2O3S3 MolecularWeight: 418.55282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCOC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SC

Isomeric SMILES

CC1=CC=C(C=C1)OCCOC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SC

InChI

InChI=1S/C19H18N2O3S3/c1-13-3-9-16(10-4-13)23-11-12-24-17(22)14-5-7-15(8-6-14)21-19(25)27-18(20-21)26-2/h3-10H,11-12H2,1-2H3