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

Systemtic Name: 3-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(5-nitroindolin-1-yl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(5-nitroindolin-1-yl)ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)N2CCC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)N2CCC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4S/c1-2-6-19-14(22)16-17-15(19)25-9-13(21)18-7-5-10-8-11(20(23)24)3-4-12(10)18/h3-4,8H,2,5-7,9H2,1H3,(H,16,22)