4-[4-methyl-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-methyl-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-methyl-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-methyl-3-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-[(2-keto-2-pyrrolidino-ethyl)thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)N3CCCC3

Isomeric SMILES

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)N3CCCC3

InChI

InChI=1S/C15H18N4O2S/c1-18-14(11-4-6-12(20)7-5-11)16-17-15(18)22-10-13(21)19-8-2-3-9-19/h4-7,16H,2-3,8-10H2,1H3