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

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-butanamide Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)butanamide CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)butanamide IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylbutanamide Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)-4-isopropyl-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(N3C(C)C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3C(C)C)C4=CC(=C(C=C4)OC)OC

InChI

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