N-(2,4-dimethylphenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C26H26N4OS/c1-19-13-15-23(20(2)17-19)27-25(31)18-32-26-29-28-24(16-14-21-9-5-3-6-10-21)30(26)22-11-7-4-8-12-22/h3-13,15,17H,14,16,18H2,1-2H3,(H,27,31)