N-[4-[5-butylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[5-butylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-(4-benzyl-5-butylsulfanyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-benzamide CAS Name: N-[4-[5-(butylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-(4-benzyl-5-butylsulfanyl-1,2,4-triazol-3-yl)phenyl]-2-methylbenzamide Traditional Name: N-[4-[4-benzyl-5-(butylthio)-1,2,4-triazol-3-yl]phenyl]-2-methyl-benzamide Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C

Isomeric SMILES

CCCCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C

InChI

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