2-[[5-[(2,6-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-butanamide

Systemtic Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-butanamide Openeye Name: 2-[[4-allyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)butanamide CAS Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)butanamide IUPAC Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylbutanamide Traditional Name: 2-[[4-allyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)butyramide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3CC=C)COC4=C(C=CC=C4C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3CC=C)COC4=C(C=CC=C4C)C

InChI

InChI=1S/C28H30N4O2S/c1-5-17-32-25(18-34-26-19(3)11-9-12-20(26)4)30-31-28(32)35-24(6-2)27(33)29-23-16-10-14-21-13-7-8-15-22(21)23/h5,7-16,24H,1,6,17-18H2,2-4H3,(H,29,33)