3-[2-oxidanylidene-2-(4-propylphenyl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-oxidanylidene-2-(4-propylphenyl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-oxo-2-(4-propylphenyl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-(4-propylphenyl)ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-oxo-2-(4-propylphenyl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(4-propylphenyl)ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-2-6-16-9-11-18(12-10-16)19(25)15-27-21-23-22-20(26)24(21)14-13-17-7-4-3-5-8-17/h3-5,7-12H,2,6,13-15H2,1H3,(H,22,26)