4-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)C

InChI

InChI=1S/C22H26N4OS/c1-4-25(5-2)19-13-11-18(12-14-19)21-23-24-22(28-16-15-17(3)27)26(21)20-9-7-6-8-10-20/h6-14H,4-5,15-16H2,1-3H3