4-tert-butyl-N-[2-[(5-chloranyl-2-phenethyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[(5-chloranyl-2-phenethyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[(5-chloro-2-phenethyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[2-[(5-chloro-2-phenethyl-1,2,4-triazol-3-yl)thio]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[(5-chloro-2-phenethyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[(5-chloro-2-phenethyl-1,2,4-triazol-3-yl)thio]phenyl]benzamide Formula: C27H27ClN4OS MolecularWeight: 491.04748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC3=NC(=NN3CCC4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC3=NC(=NN3CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H27ClN4OS/c1-27(2,3)21-15-13-20(14-16-21)24(33)29-22-11-7-8-12-23(22)34-26-30-25(28)31-32(26)18-17-19-9-5-4-6-10-19/h4-16H,17-18H2,1-3H3,(H,29,33)