4-[4-methyl-3-(2-pyrrolidin-1-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-methyl-3-(2-pyrrolidin-1-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-methyl-3-(2-pyrrolidin-1-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-methyl-3-[2-(1-pyrrolidinyl)ethylthio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-methyl-3-(2-pyrrolidin-1-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-methyl-3-(2-pyrrolidinoethylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C15H20N4OS MolecularWeight: 304.4105

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=O)C=C2)NN=C1SCCN3CCCC3

Isomeric SMILES

CN1C(=C2C=CC(=O)C=C2)NN=C1SCCN3CCCC3

InChI

InChI=1S/C15H20N4OS/c1-18-14(12-4-6-13(20)7-5-12)16-17-15(18)21-11-10-19-8-2-3-9-19/h4-7,16H,2-3,8-11H2,1H3