2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(heptan-4-ylideneamino)ethanamide

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(heptan-4-ylideneamino)ethanamide Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-propylbutylideneamino)acetamide CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-(heptan-4-ylideneamino)acetamide IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(heptan-4-ylideneamino)acetamide Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-(1-propylbutylideneamino)acetamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3)CCC

Isomeric SMILES

CCCC(=NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3)CCC

InChI

InChI=1S/C23H27N5OS/c1-3-11-19(12-4-2)24-25-21(29)17-30-23-27-26-22(18-13-7-5-8-14-18)28(23)20-15-9-6-10-16-20/h5-10,13-16H,3-4,11-12,17H2,1-2H3,(H,25,29)