(4-methylsulfanylphenyl) 3-[methyl(octadecyl)carbamoyl]benzotriazole-5-carboxylate

Systemtic Name: (4-methylsulfanylphenyl) 3-[methyl(octadecyl)carbamoyl]benzotriazole-5-carboxylate Openeye Name: (4-methylsulfanylphenyl) 3-[methyl(octadecyl)carbamoyl]benzotriazole-5-carboxylate CAS Name: 3-[[methyl(octadecyl)amino]-oxomethyl]-5-benzotriazolecarboxylic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 3-[methyl(octadecyl)carbamoyl]benzotriazole-5-carboxylate Traditional Name: 3-[methyl(stearyl)carbamoyl]benzotriazole-5-carboxylic acid [4-(methylthio)phenyl] ester Formula: C34H50N4O3S MolecularWeight: 594.8508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C(=O)N1C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)SC)N=N1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C(=O)N1C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)SC)N=N1

InChI

InChI=1S/C34H50N4O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-37(2)34(40)38-32-27-28(20-25-31(32)35-36-38)33(39)41-29-21-23-30(42-3)24-22-29/h20-25,27H,4-19,26H2,1-3H3