3-[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCCN1C(=O)NN=C1SC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H20N4O2S/c1-2-12-25-20(27)23-24-21(25)28-19(14-8-4-3-5-9-14)18(26)16-13-22-17-11-7-6-10-15(16)17/h3-11,13,19,22H,2,12H2,1H3,(H,23,27)