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

Systemtic Name: 3-[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CCCN1C(=O)NN=C1SC(C)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C16H18N4O2S/c1-3-8-20-15(22)18-19-16(20)23-10(2)14(21)12-9-17-13-7-5-4-6-11(12)13/h4-7,9-10,17H,3,8H2,1-2H3,(H,18,22)