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

Systemtic Name: 3-[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(1-methyl-2-phenyl-3-indolyl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(1-methyl-2-phenyl-indol-3-yl)ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=C(N(C3=CC=CC=C32)C)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=C(N(C3=CC=CC=C32)C)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S/c1-3-13-26-21(28)23-24-22(26)29-14-18(27)19-16-11-7-8-12-17(16)25(2)20(19)15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3,(H,23,28)