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

Systemtic Name: N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methyl-benzamide Openeye Name: N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methyl-benzamide CAS Name: N-[[5-(butylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide Traditional Name: N-[[5-(butylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H24N4OS/c1-3-4-13-27-21-24-23-19(25(21)18-11-6-5-7-12-18)15-22-20(26)17-10-8-9-16(2)14-17/h5-12,14H,3-4,13,15H2,1-2H3,(H,22,26)