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

Systemtic Name: N-[4-(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-propanamide Openeye Name: N-[4-(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-propanamide CAS Name: N-[4-[5-(butylthio)-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylpropanamide IUPAC Name: N-[4-(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-3-phenylpropanamide Traditional Name: N-[4-[5-(butylthio)-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-propionamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NN=C(N1C)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-3-4-16-28-22-25-24-21(26(22)2)18-11-13-19(14-12-18)23-20(27)15-10-17-8-6-5-7-9-17/h5-9,11-14H,3-4,10,15-16H2,1-2H3,(H,23,27)