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

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[[4-benzyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[[4-benzyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[4-benzyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-furfuryl)acetamide Formula: C23H21ClN4O3S MolecularWeight: 468.95584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NCC3=CC=CO3)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NCC3=CC=CO3)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4O3S/c24-18-8-10-19(11-9-18)31-15-21-26-27-23(28(21)14-17-5-2-1-3-6-17)32-16-22(29)25-13-20-7-4-12-30-20/h1-12H,13-16H2,(H,25,29)