4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-butanamide

Systemtic Name: 4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-butanamide Openeye Name: 4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-butanamide CAS Name: 4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-propylbutanamide IUPAC Name: 4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylbutanamide Traditional Name: 4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-propyl-butyramide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H26N4O2S/c1-3-14-23-20(27)13-8-15-29-22-25-24-21(17-9-7-12-19(16-17)28-2)26(22)18-10-5-4-6-11-18/h4-7,9-12,16H,3,8,13-15H2,1-2H3,(H,23,27)