methyl 4-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O2S/c1-29-23(28)21-14-12-19(13-15-21)17-30-24-26-25-22(20-10-6-3-7-11-20)27(24)16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3