2-[[5-[(4-chloranylphenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[[4-benzyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[[4-benzyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[4-benzyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C25H23ClN4O3S MolecularWeight: 494.99312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)COC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H23ClN4O3S/c1-32-22-9-5-8-20(14-22)27-24(31)17-34-25-29-28-23(16-33-21-12-10-19(26)11-13-21)30(25)15-18-6-3-2-4-7-18/h2-14H,15-17H2,1H3,(H,27,31)