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

Systemtic Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-butanamide Openeye Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)butanamide CAS Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)butanamide IUPAC Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylbutanamide Traditional Name: 2-[(4-ethyl-5-veratryl-1,2,4-triazol-3-yl)thio]-N-(1-naphthyl)butyramide Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3CC)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3CC)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H30N4O3S/c1-5-24(26(32)28-21-13-9-11-19-10-7-8-12-20(19)21)35-27-30-29-25(31(27)6-2)17-18-14-15-22(33-3)23(16-18)34-4/h7-16,24H,5-6,17H2,1-4H3,(H,28,32)