4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-butanamide

Systemtic Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-butanamide Openeye Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-butanamide CAS Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N,N-diethylbutanamide IUPAC Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylbutanamide Traditional Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]thio]-N,N-diethyl-butyramide Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCCSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)C(=O)CCCSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H30N4OS/c1-5-27(6-2)22(29)8-7-17-30-24-26-25-23(20-13-9-18(3)10-14-20)28(24)21-15-11-19(4)12-16-21/h9-16H,5-8,17H2,1-4H3