N-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]-4-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]butanamide

Systemtic Name: N-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]-4-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]butanamide Openeye Name: N-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]-4-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]butanamide CAS Name: N-[(3,5-dimethylphenyl)methylthio]-N-[(4-fluorophenyl)methyl]-4-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]butanamide IUPAC Name: N-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]-4-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]butanamide Traditional Name: N-[(3,5-dimethylbenzyl)thio]-N-(4-fluorobenzyl)-4-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]butyramide Formula: C29H31FN4O2S MolecularWeight: 518.645443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSN(CC2=CC=C(C=C2)F)C(=O)CCCC3=NN=CN3C4=CC(=CC=C4)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSN(CC2=CC=C(C=C2)F)C(=O)CCCC3=NN=CN3C4=CC(=CC=C4)OC)C

InChI

InChI=1S/C29H31FN4O2S/c1-21-14-22(2)16-24(15-21)19-37-34(18-23-10-12-25(30)13-11-23)29(35)9-5-8-28-32-31-20-33(28)26-6-4-7-27(17-26)36-3/h4,6-7,10-17,20H,5,8-9,18-19H2,1-3H3