ethyl 4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-(3-nitrophenyl)-3-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(3-nitrophenyl)-3-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H17N5O4S3 MolecularWeight: 487.57508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)[N+](=O)[O-])C3=NN=C(S3)C4=CC=CS4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)[N+](=O)[O-])C3=NN=C(S3)C4=CC=CS4)C

InChI

InChI=1S/C20H17N5O4S3/c1-3-29-18(26)15-11(2)24(20-23-22-17(32-20)14-8-5-9-31-14)19(30)21-16(15)12-6-4-7-13(10-12)25(27)28/h4-10,16H,3H2,1-2H3,(H,21,30)