2-[[5-[(2,5-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-butanamide

Systemtic Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-butanamide Openeye Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)butanamide CAS Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)butanamide IUPAC Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylbutanamide Traditional Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)butyramide Formula: C31H30N4O2S MolecularWeight: 522.6605

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3C4=CC=CC=C4)COC5=C(C=CC(=C5)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3C4=CC=CC=C4)COC5=C(C=CC(=C5)C)C

InChI

InChI=1S/C31H30N4O2S/c1-4-28(30(36)32-26-16-10-12-23-11-8-9-15-25(23)26)38-31-34-33-29(35(31)24-13-6-5-7-14-24)20-37-27-19-21(2)17-18-22(27)3/h5-19,28H,4,20H2,1-3H3,(H,32,36)