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

Systemtic Name: ethyl 1,3-bis(benzotriazol-1-ylmethyl)-6-methyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 1,3-bis(benzotriazol-1-ylmethyl)-6-methyl-4-phenyl-2-thioxo-4H-pyrimidine-5-carboxylate CAS Name: 1,3-bis(1-benzotriazolylmethyl)-6-methyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1,3-bis(benzotriazol-1-ylmethyl)-6-methyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Traditional Name: 1,3-bis(benzotriazol-1-ylmethyl)-6-methyl-4-phenyl-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H26N8O2S MolecularWeight: 538.62344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC=CC=C2)CN3C4=CC=CC=C4N=N3)CN5C6=CC=CC=C6N=N5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC=CC=C2)CN3C4=CC=CC=C4N=N3)CN5C6=CC=CC=C6N=N5)C

InChI

InChI=1S/C28H26N8O2S/c1-3-38-27(37)25-19(2)33(17-35-23-15-9-7-13-21(23)29-31-35)28(39)34(26(25)20-11-5-4-6-12-20)18-36-24-16-10-8-14-22(24)30-32-36/h4-16,26H,3,17-18H2,1-2H3