ethyl 1,3-bis(benzotriazol-1-ylmethyl)-4-(2-hydroxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1,3-bis(benzotriazol-1-ylmethyl)-4-(2-hydroxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 1,3-bis(benzotriazol-1-ylmethyl)-4-(2-hydroxyphenyl)-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylate CAS Name: 1,3-bis(1-benzotriazolylmethyl)-4-(2-hydroxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1,3-bis(benzotriazol-1-ylmethyl)-4-(2-hydroxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Traditional Name: 1,3-bis(benzotriazol-1-ylmethyl)-4-(2-hydroxyphenyl)-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H26N8O3S MolecularWeight: 554.62284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC=CC=C2O)CN3C4=CC=CC=C4N=N3)CN5C6=CC=CC=C6N=N5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC=CC=C2O)CN3C4=CC=CC=C4N=N3)CN5C6=CC=CC=C6N=N5)C

InChI

InChI=1S/C28H26N8O3S/c1-3-39-27(38)25-18(2)33(16-35-22-13-7-5-11-20(22)29-31-35)28(40)34(26(25)19-10-4-9-15-24(19)37)17-36-23-14-8-6-12-21(23)30-32-36/h4-15,26,37H,3,16-17H2,1-2H3