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

Systemtic Name: ethyl 1,3-bis(benzotriazol-1-ylmethyl)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 1,3-bis(benzotriazol-1-ylmethyl)-4-(4-methoxyphenyl)-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylate CAS Name: 1,3-bis(1-benzotriazolylmethyl)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1,3-bis(benzotriazol-1-ylmethyl)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Traditional Name: 1,3-bis(benzotriazol-1-ylmethyl)-4-(4-methoxyphenyl)-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H28N8O3S MolecularWeight: 568.64942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N8O3S/c1-4-40-28(38)26-19(2)34(17-36-24-11-7-5-9-22(24)30-32-36)29(41)35(27(26)20-13-15-21(39-3)16-14-20)18-37-25-12-8-6-10-23(25)31-33-37/h5-16,27H,4,17-18H2,1-3H3