5-[[4-methyl-5-[(4-methylphenyl)methyl]-6-oxidanidyl-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: 5-[[4-methyl-5-[(4-methylphenyl)methyl]-6-oxidanidyl-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[[4-methyl-6-oxido-5-(p-tolylmethyl)pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[[4-methyl-5-[(4-methylphenyl)methyl]-6-oxido-2-pyrimidinyl]thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[[4-methyl-5-[(4-methylphenyl)methyl]-6-oxidopyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[[4-methyl-5-(4-methylbenzyl)-6-oxido-pyrimidin-2-yl]thio]methyl]-2-thenoate Formula: C19H16N2O3S2-2 MolecularWeight: 384.47194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2[O-])SCC3=CC=C(S3)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2[O-])SCC3=CC=C(S3)C(=O)[O-])C

InChI

InChI=1S/C19H18N2O3S2/c1-11-3-5-13(6-4-11)9-15-12(2)20-19(21-17(15)22)25-10-14-7-8-16(26-14)18(23)24/h3-8H,9-10H2,1-2H3,(H,23,24)(H,20,21,22)/p-2