N-[4-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide

Systemtic Name: N-[4-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide Openeye Name: N-[4-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide CAS Name: N-[4-[5-[(4-tert-butylphenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide IUPAC Name: N-[4-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide Traditional Name: N-[4-[5-[(4-tert-butylbenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4OS/c1-27(2,3)22-14-10-19(11-15-22)18-33-26-30-29-24(31(26)4)20-12-16-23(17-13-20)28-25(32)21-8-6-5-7-9-21/h5-17H,18H2,1-4H3,(H,28,32)