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

Systemtic Name: N-(2-tert-butylphenyl)-2-[[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-tert-butylphenyl)-2-[[5-(4-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-tert-butylphenyl)-2-[[5-(4-chlorophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-tert-butylphenyl)-2-[[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-tert-butylphenyl)-2-[[5-(4-chlorophenyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H25ClN4O2S MolecularWeight: 481.0096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H25ClN4O2S/c1-25(2,3)20-8-4-5-9-21(20)27-22(31)16-33-24-29-28-23(17-10-12-18(26)13-11-17)30(24)15-19-7-6-14-32-19/h4-14H,15-16H2,1-3H3,(H,27,31)