N-(4-butylphenyl)-2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[[4-(2-furylmethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[[4-(2-furanylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[[4-(2-furfuryl)-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)C

InChI

InChI=1S/C26H28N4O2S/c1-3-4-8-20-11-13-22(14-12-20)27-24(31)18-33-26-29-28-25(21-9-5-7-19(2)16-21)30(26)17-23-10-6-15-32-23/h5-7,9-16H,3-4,8,17-18H2,1-2H3,(H,27,31)